#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkf s LYS 11 N 0.00 2.76 -0.25 1.61 1.02 -1.26 -5.11 119.74 118.51 3gkf s LYS 11 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.44 3gkf s LYS 11 Cb 0.00 -2.63 0.04 0.00 -0.52 0.00 0.00 37.83 34.73 3gkf s LYS 11 CO 0.00 0.66 -0.09 0.34 -0.92 0.00 0.00 175.35 175.34 3gkf s ASP 12 N -1.03 4.29 0.00 2.83 2.15 -1.26 -4.95 116.67 118.70 3gkf s ASP 12 Ca 0.14 -1.10 0.24 0.00 0.43 0.00 0.00 52.55 52.26 3gkf s ASP 12 Cb -0.11 -1.60 0.62 0.00 -0.30 0.00 0.00 42.92 41.53 3gkf s ASP 12 CO 0.04 -0.16 1.50 0.49 -0.17 0.00 0.00 175.17 176.87 3gkf n PHE 13 N 4.57 0.13 -3.86 -5.34 3.72 -1.26 -4.96 117.46 110.45 3gkf n PHE 13 Ca -0.16 -0.07 -0.32 0.00 -0.05 0.00 0.00 57.45 56.85 3gkf n PHE 13 Cb 0.45 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.00 3gkf n PHE 13 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3gkf n ARG 14 N 0.78 -1.71 0.27 -1.08 3.00 -1.26 -4.81 116.66 111.85 3gkf n ARG 14 Ca 0.17 0.36 0.13 0.00 -0.00 0.00 0.00 57.85 58.51 3gkf n ARG 14 Cb 0.47 -3.95 0.77 0.00 0.00 0.00 0.00 32.46 29.74 3gkf n ARG 14 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 3gkf h THR 15 N -2.00 0.58 0.00 5.15 1.35 -2.02 -2.11 112.91 113.86 3gkf h THR 15 Ca -0.66 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3gkf h THR 15 Cb 1.38 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3gkf h THR 15 CO 0.54 0.09 0.00 -2.24 -0.25 0.00 0.00 175.52 173.66 3gkf h ASP 16 N 0.00 0.00 -3.75 5.36 2.03 -2.04 -3.40 116.42 114.62 3gkf h ASP 16 Ca -0.00 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.63 3gkf h ASP 16 Cb 0.24 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 38.37 3gkf h ASP 16 CO 0.01 0.00 -0.80 -1.58 -1.03 0.00 0.00 179.24 175.84 3gkf s GLN 17 N -3.31 2.36 0.01 4.15 0.74 -0.79 -5.10 119.66 117.72 3gkf s GLN 17 Ca 0.05 -1.27 -0.18 0.00 0.05 0.00 0.00 55.36 54.02 3gkf s GLN 17 Cb 0.10 -2.86 -0.06 0.00 1.10 0.00 0.00 33.01 31.29 3gkf s GLN 17 CO 0.48 -0.52 0.52 -1.25 -0.55 0.00 0.00 175.29 173.97 3gkf s PRO 18 N 1.14 4.16 0.29 1.67 0.04 -1.26 -4.92 135.00 136.12 3gkf s PRO 18 Ca -0.07 0.61 -0.30 0.00 0.04 0.00 0.00 61.00 61.28 3gkf s PRO 18 Cb -0.19 -3.28 -0.12 0.00 0.04 0.00 0.00 34.50 30.95 3gkf s PRO 18 CO -0.06 0.54 1.51 0.94 0.04 0.00 0.00 177.00 179.97 3gkf n GLN 19 N 2.20 2.48 -4.27 4.56 7.27 -1.26 -5.00 117.38 123.36 3gkf n GLN 19 Ca -0.10 0.88 -0.18 0.00 0.07 0.00 0.00 57.00 57.67 3gkf n GLN 19 Cb 0.51 -2.61 -0.13 0.00 2.41 0.00 0.00 30.24 30.42 3gkf n GLN 19 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3gkf s LYS 20 N -0.72 0.74 -0.17 3.69 2.20 -1.26 -5.12 119.74 119.09 3gkf s LYS 20 Ca 0.64 -0.59 -0.24 0.00 -0.36 0.00 0.00 55.97 55.42 3gkf s LYS 20 Cb -0.54 -0.69 -0.02 0.00 -1.51 0.00 0.00 37.83 35.08 3gkf s LYS 20 CO 0.51 0.17 0.78 -0.80 -0.36 0.00 0.00 175.35 175.65 3gkf s ASN 21 N -0.89 6.89 -0.07 1.43 0.01 -1.26 -5.02 114.94 116.03 3gkf s ASN 21 Ca -0.00 1.09 -0.30 0.00 -0.71 0.00 0.00 52.86 52.94 3gkf s ASN 21 Cb -0.07 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 3gkf s ASN 21 CO 0.01 -0.36 1.39 -0.63 -1.51 0.00 0.00 177.10 176.00 3gkf s ILE 22 N 2.05 3.91 0.62 0.60 1.09 -1.26 -4.99 121.20 123.22 3gkf s ILE 22 Ca 0.36 1.20 -0.18 0.00 -1.10 0.00 0.00 60.65 60.92 3gkf s ILE 22 Cb -0.16 -3.77 -0.02 0.00 -1.06 0.00 0.00 42.46 37.44 3gkf s ILE 22 CO 0.12 -0.06 1.23 -2.84 -0.10 0.00 0.00 174.94 173.30 3gkf s PRO 23 N 3.06 2.78 -0.30 2.79 0.02 -1.26 -5.01 135.00 137.08 3gkf s PRO 23 Ca 0.62 1.89 -0.06 0.00 0.02 0.00 0.00 61.00 63.47 3gkf s PRO 23 Cb -0.28 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.36 3gkf s PRO 23 CO 0.23 -1.37 0.07 0.12 -0.33 0.00 0.00 177.00 175.72 3gkf s PHE 24 N -1.57 3.16 -0.55 6.54 5.36 -1.26 -5.00 117.98 124.66 3gkf s PHE 24 Ca 0.79 -1.16 0.23 0.00 -0.96 0.00 0.00 56.93 55.82 3gkf s PHE 24 Cb -0.32 -2.23 0.00 0.00 -0.34 0.00 0.00 43.02 40.13 3gkf s PHE 24 CO 0.36 -0.63 0.98 0.25 -1.46 0.00 0.00 175.22 174.71 3gkf n THR 25 N 4.83 0.18 -1.57 0.12 -2.24 -1.26 -4.57 114.28 109.76 3gkf n THR 25 Ca -0.14 -0.28 -0.51 0.00 -2.27 0.00 0.00 64.05 60.85 3gkf n THR 25 Cb 0.47 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 3gkf n THR 25 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3gkf n LEU 26 N -2.02 1.32 -4.65 3.22 7.94 -1.26 -4.72 117.00 116.83 3gkf n LEU 26 Ca 0.01 1.13 -0.43 0.00 -1.11 0.00 0.00 56.01 55.62 3gkf n LEU 26 Cb 0.45 -1.17 -0.03 0.00 0.53 0.00 0.00 43.42 43.20 3gkf n LEU 26 CO 0.41 -1.32 1.65 1.17 -1.11 0.00 0.00 177.39 178.18 3gkf n LYS 27 N 2.00 2.67 -1.01 1.96 4.81 -1.26 -1.94 118.16 125.38 3gkf n LYS 27 Ca 0.17 0.95 -0.00 0.00 -0.87 0.00 0.00 58.31 58.55 3gkf n LYS 27 Cb 0.21 -3.03 -0.00 0.00 0.02 0.00 0.00 35.03 32.23 3gkf n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gkf n GLY 28 N 4.77 0.37 0.92 3.14 0.00 -1.22 -3.77 105.19 109.40 3gkf n GLY 28 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3gkf n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n GLY 30 N -1.11 -1.53 1.75 0.00 0.00 -1.26 -4.00 105.19 99.04 3gkf n GLY 30 Ca 0.27 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 3gkf n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n ALA 31 N -1.61 4.73 -2.60 4.61 0.00 -1.26 -4.95 120.51 119.42 3gkf n ALA 31 Ca 0.06 -3.68 -0.29 0.00 0.00 0.00 0.00 53.44 49.53 3gkf n ALA 31 Cb 0.37 -0.33 -0.09 0.00 0.00 0.00 0.00 19.45 19.40 3gkf n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gkf s LEU 32 N -3.52 3.13 1.02 0.00 1.43 -1.26 -5.10 118.68 114.38 3gkf s LEU 32 Ca 0.48 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 3gkf s LEU 32 Cb 0.40 -1.88 0.20 0.00 0.03 0.00 0.00 46.19 44.94 3gkf s LEU 32 CO 0.02 0.15 1.09 -0.62 0.23 0.00 0.00 176.35 177.22 3gkf s ASP 33 N -2.42 2.10 0.15 2.29 2.15 -1.26 -4.67 116.67 115.01 3gkf s ASP 33 Ca 0.23 1.86 -0.17 0.00 0.43 0.00 0.00 52.55 54.90 3gkf s ASP 33 Cb -0.11 -2.44 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 3gkf s ASP 33 CO 0.15 -3.56 1.77 -0.25 -0.17 0.00 0.00 175.17 173.12 3gkf h TRP 34 N -2.18 0.30 -0.64 -5.34 7.01 -1.99 -1.22 115.95 111.89 3gkf h TRP 34 Ca -0.52 0.01 0.01 0.00 2.11 0.00 0.00 58.89 60.51 3gkf h TRP 34 Cb 1.30 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 28.24 3gkf h TRP 34 CO 0.40 0.16 0.42 0.78 -2.79 0.00 0.00 178.44 177.41 3gkf h GLY 35 N 0.34 0.90 1.00 2.65 0.00 -1.93 0.19 103.07 106.23 3gkf h GLY 35 Ca 0.14 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 3gkf h GLY 35 CO -0.10 0.32 -0.06 1.98 0.00 0.00 0.00 176.54 178.68 3gkf h MET 36 N 0.86 0.84 -0.13 4.80 1.85 -1.58 -1.51 114.93 120.06 3gkf h MET 36 Ca 0.24 -0.30 -0.03 0.00 -0.61 0.00 0.00 59.70 59.00 3gkf h MET 36 Cb -0.09 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 31.87 3gkf h MET 36 CO -0.06 0.92 -0.07 1.96 -0.40 0.00 0.00 176.91 179.26 3gkf h GLN 37 N 0.67 0.19 -0.42 0.39 4.20 -0.79 -2.09 115.11 117.27 3gkf h GLN 37 Ca 0.12 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 3gkf h GLN 37 Cb 0.58 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3gkf h GLN 37 CO 0.03 0.28 -0.16 1.03 -0.67 0.00 0.00 178.83 179.34 3gkf h SER 38 N 0.19 0.87 -0.16 1.46 0.87 0.01 -1.00 113.55 115.78 3gkf h SER 38 Ca 0.04 -0.39 -0.03 0.00 -1.23 0.00 0.00 61.79 60.18 3gkf h SER 38 Cb 0.25 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3gkf h SER 38 CO 0.01 1.06 -0.01 0.03 -0.53 0.00 0.00 176.83 177.39 3gkf h ARG 39 N 0.67 0.29 -0.77 2.24 3.08 -0.89 -1.98 114.38 117.02 3gkf h ARG 39 Ca 0.10 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.12 3gkf h ARG 39 Cb 0.72 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 3gkf h ARG 39 CO 0.05 0.53 0.51 -0.07 -1.07 0.00 0.00 179.97 179.93 3gkf h LEU 40 N 0.02 0.71 -1.31 3.04 3.38 -1.37 -0.35 115.31 119.43 3gkf h LEU 40 Ca 0.04 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3gkf h LEU 40 Cb 0.41 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3gkf h LEU 40 CO 0.01 0.45 -0.26 0.28 0.09 0.00 0.00 178.44 179.01 3gkf h SER 41 N 0.81 0.00 -0.55 -0.43 0.02 -0.80 0.13 113.55 112.73 3gkf h SER 41 Ca 0.34 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.24 3gkf h SER 41 Cb 0.28 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3gkf h SER 41 CO -0.12 0.26 0.14 0.03 -1.14 0.00 0.00 176.83 176.00 3gkf h ARG 42 N 0.00 0.88 0.09 3.45 3.08 -0.31 -3.34 114.38 118.22 3gkf h ARG 42 Ca -0.00 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 3gkf h ARG 42 Cb 0.66 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3gkf h ARG 42 CO 0.03 0.82 -0.04 0.82 -1.07 0.00 0.00 179.97 180.54 3gkf h ILE 43 N 0.78 0.84 -3.67 2.04 2.04 -1.04 -3.44 117.51 115.05 3gkf h ILE 43 Ca 0.17 -1.40 -0.62 0.00 1.00 0.00 0.00 64.86 64.01 3gkf h ILE 43 Cb 0.34 1.52 -0.15 0.00 -0.74 0.00 0.00 36.82 37.79 3gkf h ILE 43 CO 0.00 0.26 -0.39 -0.36 0.00 0.00 0.00 178.15 177.66 3gkf s PHE 44 N -2.60 3.29 0.15 1.37 0.08 0.37 -4.51 117.98 116.12 3gkf s PHE 44 Ca -0.11 0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.94 3gkf s PHE 44 Cb -0.01 -2.41 -0.11 0.00 -0.57 0.00 0.00 43.02 39.92 3gkf s PHE 44 CO 0.40 -0.07 1.76 1.21 -0.10 0.00 0.00 175.22 178.42 3gkf s ASN 45 N 1.36 6.43 0.24 1.36 3.84 0.54 -4.47 114.94 124.24 3gkf s ASN 45 Ca 0.11 2.77 -0.06 0.00 0.21 0.00 0.00 52.86 55.89 3gkf s ASN 45 Cb -0.15 -2.58 0.25 0.00 -0.55 0.00 0.00 41.25 38.22 3gkf s ASN 45 CO 0.08 -0.97 1.83 -0.65 -2.79 0.00 0.00 177.10 174.59 3gkf h PRO 46 N 7.86 1.13 0.32 0.43 0.11 -1.90 2.54 132.00 142.50 3gkf h PRO 46 Ca -0.45 -0.18 -0.02 0.00 0.11 0.00 0.00 66.00 65.47 3gkf h PRO 46 Cb 1.21 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3gkf h PRO 46 CO 0.95 0.89 -0.16 0.87 -0.21 0.00 0.00 178.00 180.34 3gkf h LYS 47 N 1.12 -0.42 0.00 1.05 1.79 -1.98 -3.32 116.57 114.81 3gkf h LYS 47 Ca 0.27 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 3gkf h LYS 47 Cb 0.15 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3gkf h LYS 47 CO -0.03 -0.21 -1.21 0.25 -1.08 0.00 0.00 179.45 177.17 3gkf n THR 48 N -5.23 0.04 -2.18 -0.16 -2.24 -1.15 -4.98 114.28 98.37 3gkf n THR 48 Ca -0.10 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 3gkf n THR 48 Cb 0.22 0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 68.98 3gkf n THR 48 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gkf n GLY 49 N 1.41 -0.05 3.19 3.38 0.00 0.85 -4.96 105.19 109.01 3gkf n GLY 49 Ca 0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 3gkf n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkf s LYS 50 N -4.55 1.07 -0.00 1.61 1.02 -1.19 -4.76 119.74 112.93 3gkf s LYS 50 Ca 0.00 -1.51 -0.05 0.00 0.02 0.00 0.00 55.97 54.43 3gkf s LYS 50 Cb 0.00 0.27 -0.00 0.00 -0.52 0.00 0.00 37.83 37.57 3gkf s LYS 50 CO 0.00 -0.33 0.09 -0.08 -0.92 0.00 0.00 175.35 174.11 3gkf s THR 51 N -4.09 0.07 -0.30 2.17 -1.32 -0.18 -0.34 115.64 111.64 3gkf s THR 51 Ca 0.30 -0.59 -0.06 0.00 -1.21 0.00 0.00 61.69 60.13 3gkf s THR 51 Cb 0.07 -0.34 0.02 0.00 -1.51 0.00 0.00 72.50 70.74 3gkf s THR 51 CO 0.06 -0.33 0.08 -0.69 -2.21 0.00 0.00 174.62 171.54 3gkf s VAL 52 N -1.09 3.86 -0.19 5.08 1.01 -1.26 -2.39 120.40 125.41 3gkf s VAL 52 Ca -0.12 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 3gkf s VAL 52 Cb -0.07 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3gkf s VAL 52 CO 0.01 0.03 0.01 -0.32 0.00 0.00 0.00 175.10 174.82 3gkf s MET 53 N 1.47 3.72 -0.48 2.72 0.00 -0.84 -0.37 119.30 125.52 3gkf s MET 53 Ca 0.01 -0.47 -0.13 0.00 0.00 0.00 0.00 55.69 55.10 3gkf s MET 53 Cb -0.18 -3.09 0.10 0.00 0.00 0.00 0.00 34.83 31.66 3gkf s MET 53 CO 0.02 0.12 0.38 -1.17 0.00 0.00 0.00 175.02 174.37 3gkf s LEU 54 N 0.74 5.68 -0.22 4.11 2.96 -0.18 -3.90 118.68 127.88 3gkf s LEU 54 Ca 0.01 -1.60 -0.08 0.00 -0.22 0.00 0.00 54.13 52.24 3gkf s LEU 54 Cb -0.14 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 3gkf s LEU 54 CO 0.02 -0.69 0.09 0.00 -1.32 0.00 0.00 176.35 174.45 3gkf s ALA 55 N 1.53 3.38 -0.37 5.97 0.00 -1.26 -1.55 121.76 129.46 3gkf s ALA 55 Ca 0.04 -0.89 0.12 0.00 0.00 0.00 0.00 51.96 51.23 3gkf s ALA 55 Cb -0.26 -2.06 0.44 0.00 0.00 0.00 0.00 23.12 21.24 3gkf s ALA 55 CO 0.03 -0.10 1.03 1.97 0.00 0.00 0.00 175.76 178.69 3gkf n PHE 56 N 4.11 2.21 1.05 0.00 1.16 0.83 -4.69 117.46 122.14 3gkf n PHE 56 Ca -0.16 -2.90 0.12 0.00 -1.87 0.00 0.00 57.45 52.64 3gkf n PHE 56 Cb 0.52 -0.24 0.14 0.00 -1.61 0.00 0.00 39.48 38.29 3gkf n PHE 56 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 3gkf n ASP 57 N -0.28 2.78 0.31 5.98 5.75 -1.24 -4.49 116.55 125.36 3gkf n ASP 57 Ca 0.23 -1.91 0.18 0.00 -0.01 0.00 0.00 54.79 53.28 3gkf n ASP 57 Cb 0.75 0.03 1.00 0.00 -1.03 0.00 0.00 41.12 41.87 3gkf n ASP 57 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3gkf h HIS 58 N 4.31 0.00 -0.07 2.11 -0.00 -1.93 0.57 115.15 120.14 3gkf h HIS 58 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 3gkf h HIS 58 Cb 0.93 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.34 3gkf h HIS 58 CO 0.00 0.01 0.41 0.78 -0.00 0.00 0.00 177.93 179.13 3gkf h GLY 59 N 0.15 0.00 2.00 2.45 0.00 -1.79 -1.69 103.07 104.19 3gkf h GLY 59 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3gkf h GLY 59 CO 0.00 0.00 -0.08 0.10 0.00 0.00 0.00 176.54 176.57 3gkf h TYR 60 N 0.00 0.01 0.00 5.60 -0.00 -1.17 -1.80 116.97 119.61 3gkf h TYR 60 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.76 3gkf h TYR 60 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.58 3gkf h TYR 60 CO 0.00 0.08 0.00 1.97 -0.00 0.00 0.00 178.16 180.21 3gkf n PHE 61 N -4.45 0.00 0.24 0.10 1.16 -1.07 -4.67 117.46 108.77 3gkf n PHE 61 Ca -0.03 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.60 3gkf n PHE 61 Cb 0.16 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.96 3gkf n PHE 61 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3gkf n GLN 62 N -0.26 2.19 0.00 3.97 6.02 -0.66 -1.68 117.38 126.95 3gkf n GLN 62 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3gkf n GLN 62 Cb 0.06 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.23 3gkf n GLN 62 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gkf n GLY 63 N 1.56 -0.36 3.02 1.08 0.00 -0.70 -4.25 105.19 105.54 3gkf n GLY 63 Ca 0.00 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 3gkf n GLY 63 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gkf n PRO 64 N 0.00 2.40 -1.25 1.61 -0.02 -1.26 -3.94 135.00 132.54 3gkf n PRO 64 Ca 0.00 -2.45 -0.36 0.00 -2.02 0.00 0.00 63.50 58.67 3gkf n PRO 64 Cb 0.00 -3.24 0.08 0.00 -0.02 0.00 0.00 33.50 30.32 3gkf n PRO 64 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3gkf n THR 65 N 5.75 2.01 -1.69 3.45 -1.04 -1.26 -4.64 114.28 116.85 3gkf n THR 65 Ca 0.50 -0.36 -0.44 0.00 -2.04 0.00 0.00 64.05 61.71 3gkf n THR 65 Cb 0.41 -0.88 -0.03 0.00 -1.82 0.00 0.00 70.33 68.00 3gkf n THR 65 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3gkf n THR 66 N -2.57 0.12 0.00 12.58 -1.04 -1.26 -0.93 114.28 121.17 3gkf n THR 66 Ca 0.11 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3gkf n THR 66 Cb 0.50 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 3gkf n THR 66 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gkf n GLY 67 N 3.49 2.26 0.64 3.41 0.00 -1.26 -4.76 105.19 108.97 3gkf n GLY 67 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 3gkf n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gkf n LEU 68 N 0.00 3.13 -0.15 0.99 4.77 -0.11 -4.65 117.00 120.98 3gkf n LEU 68 Ca 0.00 -2.39 -0.04 0.00 -0.03 0.00 0.00 56.01 53.55 3gkf n LEU 68 Cb 0.00 -0.32 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3gkf n LEU 68 CO 0.00 0.69 0.96 -0.33 -1.33 0.00 0.00 177.39 177.38 3gkf h GLU 69 N 1.67 0.33 -3.10 3.23 3.07 -1.77 -3.34 114.58 114.66 3gkf h GLU 69 Ca 0.00 -0.02 -0.60 0.00 -0.50 0.00 0.00 59.36 58.24 3gkf h GLU 69 Cb 0.96 -0.07 -0.40 0.00 -0.84 0.00 0.00 28.75 28.40 3gkf h GLU 69 CO 0.07 0.22 -0.75 1.03 -1.40 0.00 0.00 179.01 178.18 3gkf s ARG 70 N -6.14 1.10 0.22 2.33 1.81 -1.26 -4.95 118.95 112.06 3gkf s ARG 70 Ca -0.13 -1.74 -0.08 0.00 -1.72 0.00 0.00 55.73 52.05 3gkf s ARG 70 Cb 0.14 -2.18 0.27 0.00 -0.45 0.00 0.00 34.95 32.72 3gkf s ARG 70 CO 0.72 -1.12 1.81 0.82 -0.68 0.00 0.00 175.30 176.85 3gkf h ILE 71 N 5.51 0.96 -0.04 1.52 1.08 -1.89 -1.29 117.51 123.37 3gkf h ILE 71 Ca -0.03 -0.24 0.01 0.00 -0.39 0.00 0.00 64.86 64.21 3gkf h ILE 71 Cb 0.95 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.89 3gkf h ILE 71 CO 0.46 0.13 0.04 -2.24 -0.69 0.00 0.00 178.15 175.85 3gkf h ASP 72 N 0.71 0.00 0.00 1.72 2.03 -1.92 -0.40 116.42 118.56 3gkf h ASP 72 Ca 0.32 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.37 3gkf h ASP 72 Cb 0.21 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.67 3gkf h ASP 72 CO -0.19 0.00 -1.73 -0.38 -1.03 0.00 0.00 179.24 175.91 3gkf n ILE 73 N -3.97 1.10 0.07 4.15 5.41 -1.03 -4.18 119.36 120.93 3gkf n ILE 73 Ca -0.02 -0.15 -0.13 0.00 1.00 0.00 0.00 62.75 63.45 3gkf n ILE 73 Cb 0.13 -1.83 -0.08 0.00 -0.71 0.00 0.00 39.64 37.15 3gkf n ILE 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 3gkf h ASN 74 N -0.66 -0.12 0.52 4.38 -1.24 -1.26 -3.36 115.58 113.84 3gkf h ASN 74 Ca -0.37 -0.18 -0.23 0.00 0.71 0.00 0.00 56.30 56.23 3gkf h ASN 74 Cb 1.25 0.03 -0.04 0.00 0.73 0.00 0.00 38.32 40.29 3gkf h ASN 74 CO -0.22 0.12 -1.65 -0.38 -1.29 0.00 0.00 177.43 174.00 3gkf n ILE 75 N -5.05 1.33 -0.25 2.57 2.08 -0.24 -4.35 119.36 115.45 3gkf n ILE 75 Ca -0.08 -0.74 0.06 0.00 0.56 0.00 0.00 62.75 62.54 3gkf n ILE 75 Cb 0.17 -0.80 0.19 0.00 -0.75 0.00 0.00 39.64 38.45 3gkf n ILE 75 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gkf h ALA 76 N 1.24 1.03 -0.04 -1.39 0.00 -1.49 0.56 119.26 119.17 3gkf h ALA 76 Ca -0.25 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3gkf h ALA 76 Cb 1.80 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 3gkf h ALA 76 CO 0.06 -0.26 0.04 -1.35 0.00 0.00 0.00 179.25 177.73 3gkf h PRO 77 N 0.37 0.00 0.00 0.00 0.10 -1.76 -3.14 132.00 127.58 3gkf h PRO 77 Ca 0.42 0.00 -0.04 0.00 0.10 0.00 0.00 66.00 66.48 3gkf h PRO 77 Cb 0.67 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 31.76 3gkf h PRO 77 CO -0.44 0.00 -0.18 -0.07 0.10 0.00 0.00 178.00 177.40 3gkf h LEU 78 N 0.00 0.00 -0.23 2.35 3.38 -0.10 -3.38 115.31 117.33 3gkf h LEU 78 Ca 0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3gkf h LEU 78 Cb 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3gkf h LEU 78 CO -0.00 0.18 -0.03 -0.26 0.09 0.00 0.00 178.44 178.42 3gkf h PHE 79 N 0.00 -0.07 -0.06 1.13 0.04 -1.53 -2.59 116.94 113.86 3gkf h PHE 79 Ca -0.00 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.80 3gkf h PHE 79 Cb 1.02 0.06 -0.00 0.00 2.20 0.00 0.00 35.95 39.23 3gkf h PHE 79 CO 0.00 -0.07 0.16 1.05 -0.60 0.00 0.00 178.31 178.85 3gkf h GLU 80 N 0.04 0.00 -0.65 1.51 4.11 -1.83 -0.43 114.58 117.33 3gkf h GLU 80 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 3gkf h GLU 80 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3gkf h GLU 80 CO -0.21 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.59 3gkf n HIS 81 N -3.29 1.67 -4.27 2.06 8.25 -0.97 -4.90 115.22 113.77 3gkf n HIS 81 Ca -0.01 -0.64 -0.30 0.00 -0.26 0.00 0.00 57.72 56.51 3gkf n HIS 81 Cb 0.24 -0.31 -0.10 0.00 1.12 0.00 0.00 29.99 30.94 3gkf n HIS 81 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gkf s ALA 82 N -2.07 2.93 0.05 -1.41 0.00 -0.17 -4.89 121.76 116.19 3gkf s ALA 82 Ca 0.53 -1.23 -0.16 0.00 0.00 0.00 0.00 51.96 51.10 3gkf s ALA 82 Cb 0.36 -0.89 -0.25 0.00 0.00 0.00 0.00 23.12 22.33 3gkf s ALA 82 CO 0.23 0.63 1.13 -0.44 0.00 0.00 0.00 175.76 177.32 3gkf h ASP 83 N 3.73 0.82 -4.14 0.00 3.32 -1.01 -3.47 116.42 115.67 3gkf h ASP 83 Ca -0.49 -0.78 -0.17 0.00 0.02 0.00 0.00 57.03 55.62 3gkf h ASP 83 Cb 1.17 -0.25 -0.24 0.00 0.22 0.00 0.00 39.33 40.22 3gkf h ASP 83 CO 0.52 1.50 -0.47 0.54 -1.72 0.00 0.00 179.24 179.60 3gkf s VAL 84 N -3.16 0.02 0.07 -1.35 0.11 -1.05 -4.17 120.40 110.87 3gkf s VAL 84 Ca -0.11 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 3gkf s VAL 84 Cb 0.06 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 3gkf s VAL 84 CO 0.90 -0.10 0.21 -0.76 -3.33 0.00 0.00 175.10 172.03 3gkf s LEU 85 N -0.31 4.36 -0.10 2.54 1.43 0.12 -1.01 118.68 125.71 3gkf s LEU 85 Ca -0.04 0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3gkf s LEU 85 Cb -0.03 -2.96 0.03 0.00 0.03 0.00 0.00 46.19 43.27 3gkf s LEU 85 CO 0.01 0.16 -0.01 -0.32 0.23 0.00 0.00 176.35 176.43 3gkf s MET 86 N -2.55 0.78 0.38 1.70 -2.45 -0.60 -0.22 119.30 116.33 3gkf s MET 86 Ca 0.35 -0.06 -0.07 0.00 -1.25 0.00 0.00 55.69 54.66 3gkf s MET 86 Cb -0.13 -1.30 0.03 0.00 1.25 0.00 0.00 34.83 34.68 3gkf s MET 86 CO 0.28 -0.36 0.62 0.00 1.05 0.00 0.00 175.02 176.61 3gkf s THR 88 N -2.54 3.36 0.26 0.00 -4.23 -1.26 -1.54 115.64 109.69 3gkf s THR 88 Ca 0.24 0.44 0.14 0.00 -1.18 0.00 0.00 61.69 61.34 3gkf s THR 88 Cb -0.03 -3.43 0.06 0.00 1.34 0.00 0.00 72.50 70.44 3gkf s THR 88 CO 0.18 -0.58 1.71 0.08 -0.54 0.00 0.00 174.62 175.47 3gkf h ARG 89 N -0.69 0.00 0.28 3.99 0.11 -1.97 -1.02 114.38 115.07 3gkf h ARG 89 Ca -0.45 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 3gkf h ARG 89 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 3gkf h ARG 89 CO 0.64 0.48 -0.14 0.78 0.10 0.00 0.00 179.97 181.83 3gkf h GLY 90 N 1.74 -0.40 0.90 0.08 0.00 -1.96 -2.05 103.07 101.38 3gkf h GLY 90 Ca -0.00 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 3gkf h GLY 90 CO 0.06 -0.14 0.10 -2.22 0.00 0.00 0.00 176.54 174.34 3gkf h ILE 91 N -0.60 1.19 -0.32 2.60 1.08 -1.93 -2.43 117.51 117.09 3gkf h ILE 91 Ca -0.04 -0.58 0.07 0.00 -0.39 0.00 0.00 64.86 63.92 3gkf h ILE 91 Cb 0.44 1.05 -0.07 0.00 -3.07 0.00 0.00 36.82 35.17 3gkf h ILE 91 CO 0.06 0.20 -0.16 0.25 -0.69 0.00 0.00 178.15 177.80 3gkf h LEU 92 N 0.29 -0.55 -0.62 1.44 5.85 -1.17 0.11 115.31 120.66 3gkf h LEU 92 Ca 0.09 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3gkf h LEU 92 Cb 0.21 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3gkf h LEU 92 CO -0.01 -0.20 0.21 0.03 -0.34 0.00 0.00 178.44 178.13 3gkf h ARG 93 N -0.12 0.95 0.10 1.25 3.08 -1.26 -2.78 114.38 115.60 3gkf h ARG 93 Ca 0.17 -0.20 -0.29 0.00 0.07 0.00 0.00 59.98 59.73 3gkf h ARG 93 Cb 0.37 -0.14 0.03 0.00 0.08 0.00 0.00 29.97 30.31 3gkf h ARG 93 CO -0.40 0.83 -1.21 0.66 -1.07 0.00 0.00 179.97 178.79 3gkf h SER 94 N 0.87 0.89 0.00 7.04 4.64 -0.85 -3.41 113.55 122.74 3gkf h SER 94 Ca 0.20 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 3gkf h SER 94 Cb 0.27 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3gkf h SER 94 CO -0.01 1.60 0.00 1.33 -0.87 0.00 0.00 176.83 178.88 3gkf n VAL 95 N -3.81 0.08 -3.66 0.95 0.24 -0.05 -4.99 118.33 107.09 3gkf n VAL 95 Ca -0.13 -0.15 -0.37 0.00 -2.04 0.00 0.00 64.34 61.64 3gkf n VAL 95 Cb 0.97 1.46 -0.12 0.00 -1.47 0.00 0.00 33.84 34.68 3gkf n VAL 95 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3gkf s VAL 96 N -0.08 4.91 0.13 3.34 1.01 -1.05 -4.70 120.40 123.96 3gkf s VAL 96 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 3gkf s VAL 96 Cb 0.00 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 3gkf s VAL 96 CO 0.00 0.29 1.31 -2.84 0.00 0.00 0.00 175.10 173.86 3gkf s PRO 97 N 1.66 4.38 0.39 2.72 0.02 -1.26 -4.73 135.00 138.18 3gkf s PRO 97 Ca 0.07 1.98 0.13 0.00 0.02 0.00 0.00 61.00 63.20 3gkf s PRO 97 Cb -0.16 -3.26 0.96 0.00 0.02 0.00 0.00 34.50 32.06 3gkf s PRO 97 CO 0.08 -0.32 1.88 -1.35 -0.33 0.00 0.00 177.00 176.96 3gkf h PRO 98 N 6.33 0.52 0.00 5.54 0.11 -1.95 -0.02 132.00 142.52 3gkf h PRO 98 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gkf h PRO 98 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gkf h PRO 98 CO 0.82 0.34 0.00 0.00 -0.21 0.00 0.00 178.00 178.95 3gkf n ALA 99 N -2.48 2.17 0.29 -0.75 0.00 -1.26 -2.34 120.51 116.14 3gkf n ALA 99 Ca 0.17 -0.11 0.19 0.00 0.00 0.00 0.00 53.44 53.68 3gkf n ALA 99 Cb 0.54 -1.33 0.98 0.00 0.00 0.00 0.00 19.45 19.64 3gkf n ALA 99 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3gkf h THR 100 N 0.00 0.20 -5.85 0.00 2.02 -1.37 -3.45 112.91 104.47 3gkf h THR 100 Ca 0.00 0.00 -0.43 0.00 0.77 0.00 0.00 66.41 66.75 3gkf h THR 100 Cb 0.08 0.88 -0.09 0.00 -1.74 0.00 0.00 68.15 67.28 3gkf h THR 100 CO 0.00 0.00 -0.65 -3.20 0.37 0.00 0.00 175.52 172.04 3gkf n ASN 101 N -3.35 -3.95 -4.40 4.18 5.15 -0.99 -4.87 115.26 107.04 3gkf n ASN 101 Ca -0.01 -0.59 -0.30 0.00 -0.60 0.00 0.00 54.58 53.07 3gkf n ASN 101 Cb 0.22 -3.23 -0.14 0.00 -0.53 0.00 0.00 39.78 36.10 3gkf n ASN 101 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3gkf s ARG 102 N -6.31 1.95 0.37 1.20 6.06 -1.26 -5.11 118.95 115.84 3gkf s ARG 102 Ca 0.52 -1.04 -0.28 0.00 -2.50 0.00 0.00 55.73 52.43 3gkf s ARG 102 Cb -0.27 -2.08 -0.10 0.00 0.06 0.00 0.00 34.95 32.55 3gkf s ARG 102 CO 0.64 0.53 1.40 -2.14 -2.50 0.00 0.00 175.30 173.23 3gkf s PRO 103 N -1.30 4.16 0.07 5.12 0.02 -1.26 -4.82 135.00 137.00 3gkf s PRO 103 Ca 0.13 2.39 0.09 0.00 0.02 0.00 0.00 61.00 63.63 3gkf s PRO 103 Cb -0.10 -2.96 -0.03 0.00 0.02 0.00 0.00 34.50 31.42 3gkf s PRO 103 CO 0.03 -0.42 -0.25 0.14 -0.33 0.00 0.00 177.00 176.17 3gkf s VAL 104 N -1.15 2.07 -0.38 3.83 -7.23 -1.26 -0.70 120.40 115.58 3gkf s VAL 104 Ca 0.52 -1.48 -0.07 0.00 -1.81 0.00 0.00 61.98 59.14 3gkf s VAL 104 Cb -0.43 -1.80 0.06 0.00 0.56 0.00 0.00 36.38 34.77 3gkf s VAL 104 CO 0.57 0.23 0.17 -0.69 -0.31 0.00 0.00 175.10 175.08 3gkf s VAL 105 N -0.90 3.86 0.08 1.32 1.01 0.69 -0.99 120.40 125.47 3gkf s VAL 105 Ca 0.11 -1.37 -0.31 0.00 0.00 0.00 0.00 61.98 60.42 3gkf s VAL 105 Cb -0.10 -3.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 3gkf s VAL 105 CO 0.03 -0.37 1.31 -0.76 0.00 0.00 0.00 175.10 175.31 3gkf s LEU 106 N 1.37 4.37 -0.13 3.92 1.43 0.14 -3.40 118.68 126.38 3gkf s LEU 106 Ca 0.01 2.19 -0.29 0.00 -1.03 0.00 0.00 54.13 55.00 3gkf s LEU 106 Cb -0.21 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 3gkf s LEU 106 CO 0.01 -0.59 1.34 -0.60 0.23 0.00 0.00 176.35 176.75 3gkf s ARG 107 N 1.18 4.23 -0.12 1.70 6.06 -0.59 -0.06 118.95 131.36 3gkf s ARG 107 Ca 0.62 1.78 0.15 0.00 -2.50 0.00 0.00 55.73 55.78 3gkf s ARG 107 Cb -0.33 -3.78 0.30 0.00 0.06 0.00 0.00 34.95 31.20 3gkf s ARG 107 CO 0.29 -0.71 1.19 0.00 -2.50 0.00 0.00 175.30 173.58 3gkf n ALA 108 N 6.53 2.38 -2.46 6.12 0.00 0.50 -4.55 120.51 129.04 3gkf n ALA 108 Ca 0.14 -2.26 -0.23 0.00 0.00 0.00 0.00 53.44 51.10 3gkf n ALA 108 Cb 0.44 -0.40 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 3gkf n ALA 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gkf s SER 109 N -2.32 3.21 0.00 0.00 1.04 -1.22 0.11 113.70 114.53 3gkf s SER 109 Ca 0.29 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.60 3gkf s SER 109 Cb 0.25 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3gkf s SER 109 CO 0.04 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.70 3gkf n GLY 110 N -0.62 -0.58 2.09 7.32 0.00 -0.50 -4.66 105.19 108.25 3gkf n GLY 110 Ca -0.06 -0.68 -0.00 0.00 0.00 0.00 0.00 46.02 45.28 3gkf n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n ALA 111 N 0.00 -0.00 -2.60 4.61 0.00 -1.26 -0.46 120.51 120.80 3gkf n ALA 111 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3gkf n ALA 111 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.26 3gkf n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gkf s ASN 112 N -2.03 5.42 0.25 0.00 4.22 -1.22 -4.78 114.94 116.80 3gkf s ASN 112 Ca 0.00 -0.39 0.04 0.00 -2.14 0.00 0.00 52.86 50.37 3gkf s ASN 112 Cb 0.00 -1.13 -0.05 0.00 1.28 0.00 0.00 41.25 41.35 3gkf s ASN 112 CO 0.00 -0.26 -0.01 -0.44 -2.04 0.00 0.00 177.10 174.34 3gkf s SER 113 N -3.96 2.05 0.00 3.54 0.01 -1.26 -4.46 113.70 109.62 3gkf s SER 113 Ca 0.39 -1.22 0.24 0.00 1.31 0.00 0.00 55.95 56.67 3gkf s SER 113 Cb -0.07 -0.03 1.37 0.00 0.21 0.00 0.00 66.02 67.50 3gkf s SER 113 CO 0.26 -0.48 1.82 2.30 0.41 0.00 0.00 173.24 177.55 3gkf n ILE 114 N -0.47 0.10 1.27 1.44 -5.35 -0.68 -2.88 119.36 112.80 3gkf n ILE 114 Ca -0.05 0.02 0.13 0.00 -0.27 0.00 0.00 62.75 62.59 3gkf n ILE 114 Cb 0.64 -0.64 0.36 0.00 -1.74 0.00 0.00 39.64 38.26 3gkf n ILE 114 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3gkf n LEU 115 N -1.11 1.41 0.00 7.28 4.77 -1.26 -4.96 117.00 123.13 3gkf n LEU 115 Ca 0.16 -0.44 -0.01 0.00 -0.03 0.00 0.00 56.01 55.69 3gkf n LEU 115 Cb 0.13 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3gkf n LEU 115 CO 0.16 0.25 0.00 0.00 -1.33 0.00 0.00 177.39 176.47 3gkf n ALA 116 N -0.21 0.01 -1.70 -1.18 0.00 -1.14 -5.10 120.51 111.20 3gkf n ALA 116 Ca 0.14 -0.15 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 3gkf n ALA 116 Cb 0.38 0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 3gkf n ALA 116 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3gkf n GLU 117 N -0.05 2.51 0.02 0.00 4.07 -1.26 -4.74 120.64 121.19 3gkf n GLU 117 Ca 0.00 0.91 -0.08 0.00 -0.06 0.00 0.00 57.16 57.93 3gkf n GLU 117 Cb 0.05 -2.71 0.09 0.00 -0.06 0.00 0.00 31.44 28.81 3gkf n GLU 117 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3gkf h LEU 118 N 6.24 0.54 0.00 4.31 5.85 -1.96 -3.12 115.31 127.17 3gkf h LEU 118 Ca -0.44 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.01 3gkf h LEU 118 Cb 1.23 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3gkf h LEU 118 CO 0.91 0.95 0.00 -1.54 -0.34 0.00 0.00 178.44 178.42 3gkf n SER 119 N -3.98 0.00 -4.42 1.25 3.41 -1.26 -4.61 113.62 104.01 3gkf n SER 119 Ca -0.02 -0.85 -0.43 0.00 -0.26 0.00 0.00 58.87 57.31 3gkf n SER 119 Cb 0.57 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3gkf n SER 119 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gkf n ASN 120 N -1.02 4.82 -4.51 4.04 5.15 -1.18 -4.57 115.26 117.99 3gkf n ASN 120 Ca 0.21 -2.92 -0.28 0.00 -0.60 0.00 0.00 54.58 50.99 3gkf n ASN 120 Cb 0.11 -1.71 -0.11 0.00 -0.53 0.00 0.00 39.78 37.54 3gkf n ASN 120 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3gkf s GLU 121 N 3.66 1.83 0.27 1.20 2.02 -1.26 -3.41 118.70 123.01 3gkf s GLU 121 Ca 0.51 -1.26 0.03 0.00 0.02 0.00 0.00 54.97 54.28 3gkf s GLU 121 Cb 0.05 -2.09 -0.06 0.00 0.10 0.00 0.00 34.13 32.13 3gkf s GLU 121 CO 0.04 0.45 0.04 0.00 0.02 0.00 0.00 175.26 175.82 3gkf s ALA 122 N -1.40 2.02 0.17 5.21 0.00 0.39 -4.76 121.76 123.41 3gkf s ALA 122 Ca 0.21 -1.91 -0.31 0.00 0.00 0.00 0.00 51.96 49.95 3gkf s ALA 122 Cb -0.10 0.66 -0.09 0.00 0.00 0.00 0.00 23.12 23.59 3gkf s ALA 122 CO 0.12 -0.31 1.48 0.08 0.00 0.00 0.00 175.76 177.12 3gkf s VAL 123 N -3.43 2.83 -1.65 0.00 1.01 -1.26 -1.40 120.40 116.50 3gkf s VAL 123 Ca 0.34 0.63 0.14 0.00 0.00 0.00 0.00 61.98 63.09 3gkf s VAL 123 Cb 0.07 -3.40 0.20 0.00 0.00 0.00 0.00 36.38 33.25 3gkf s VAL 123 CO 0.12 0.06 1.08 0.00 0.00 0.00 0.00 175.10 176.37 3gkf n ALA 124 N 3.49 2.40 -3.55 5.51 0.00 0.30 -4.85 120.51 123.81 3gkf n ALA 124 Ca 0.11 -0.79 -0.09 0.00 0.00 0.00 0.00 53.44 52.67 3gkf n ALA 124 Cb 0.40 -0.52 -0.04 0.00 0.00 0.00 0.00 19.45 19.29 3gkf n ALA 124 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3gkf s LEU 125 N -1.15 -0.35 0.39 0.00 0.05 -1.26 -4.91 118.68 111.45 3gkf s LEU 125 Ca 0.21 0.23 -0.22 0.00 0.05 0.00 0.00 54.13 54.39 3gkf s LEU 125 Cb 0.13 1.89 -0.11 0.00 -2.05 0.00 0.00 46.19 46.05 3gkf s LEU 125 CO 0.19 -0.44 0.94 -0.94 -0.55 0.00 0.00 176.35 175.55 3gkf s SER 126 N -1.69 7.06 0.52 1.48 1.04 -1.26 -4.92 113.70 115.92 3gkf s SER 126 Ca 0.02 1.71 0.17 0.00 0.48 0.00 0.00 55.95 58.33 3gkf s SER 126 Cb -0.01 -2.54 1.28 0.00 0.10 0.00 0.00 66.02 64.85 3gkf s SER 126 CO -0.03 -0.26 2.12 -0.03 0.98 0.00 0.00 173.24 176.03 3gkf h MET 127 N 2.33 0.01 -0.40 4.02 4.05 -1.97 0.21 114.93 123.18 3gkf h MET 127 Ca -0.48 -0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.02 3gkf h MET 127 Cb 1.18 -0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.90 3gkf h MET 127 CO 0.62 0.00 -0.19 0.22 0.23 0.00 0.00 176.91 177.80 3gkf h ASP 128 N 0.01 -0.65 -0.12 1.39 3.58 -1.97 0.44 116.42 119.09 3gkf h ASP 128 Ca 0.04 0.15 -0.20 0.00 0.42 0.00 0.00 57.03 57.44 3gkf h ASP 128 Cb 0.16 0.35 0.00 0.00 1.72 0.00 0.00 39.33 41.57 3gkf h ASP 128 CO -0.00 -0.22 -0.69 -0.78 -2.88 0.00 0.00 179.24 174.67 3gkf h ASP 129 N -0.12 0.87 -1.00 2.28 3.58 -1.38 -0.98 116.42 119.68 3gkf h ASP 129 Ca 0.20 -0.53 0.08 0.00 0.42 0.00 0.00 57.03 57.19 3gkf h ASP 129 Cb 0.42 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 41.14 3gkf h ASP 129 CO -0.47 1.32 0.64 0.00 -2.88 0.00 0.00 179.24 177.85 3gkf h ALA 130 N 0.68 1.44 -0.20 -0.78 0.00 -0.35 0.29 119.26 120.34 3gkf h ALA 130 Ca -0.03 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 3gkf h ALA 130 Cb 1.30 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3gkf h ALA 130 CO 0.14 0.38 -0.59 0.28 0.00 0.00 0.00 179.25 179.46 3gkf h VAL 131 N 1.12 1.31 0.00 0.00 2.07 0.02 -2.24 116.25 118.54 3gkf h VAL 131 Ca 0.45 -1.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 3gkf h VAL 131 Cb 0.26 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3gkf h VAL 131 CO -0.20 0.58 -0.11 -0.09 0.02 0.00 0.00 177.57 177.77 3gkf h ARG 132 N 0.48 0.00 -0.56 1.57 2.43 0.40 -1.65 114.38 117.05 3gkf h ARG 132 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3gkf h ARG 132 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3gkf h ARG 132 CO 0.12 0.11 0.00 1.28 -1.51 0.00 0.00 179.97 179.96 3gkf n LEU 133 N -4.17 3.01 -3.67 3.80 4.77 0.82 -4.96 117.00 116.60 3gkf n LEU 133 Ca -0.03 -1.50 -0.22 0.00 -0.03 0.00 0.00 56.01 54.23 3gkf n LEU 133 Cb 0.19 -0.37 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 3gkf n LEU 133 CO 0.33 0.75 0.02 -3.20 -1.33 0.00 0.00 177.39 173.97 3gkf n ASN 134 N 1.15 -2.34 -4.84 -1.43 5.15 -0.62 -4.94 115.26 107.39 3gkf n ASN 134 Ca 0.19 -0.75 -0.32 0.00 -0.60 0.00 0.00 54.58 53.10 3gkf n ASN 134 Cb 0.47 -4.33 0.01 0.00 -0.53 0.00 0.00 39.78 35.40 3gkf n ASN 134 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3gkf s SER 135 N -4.11 6.04 0.07 1.20 0.01 -0.89 -4.76 113.70 111.26 3gkf s SER 135 Ca 0.15 1.59 0.21 0.00 1.31 0.00 0.00 55.95 59.22 3gkf s SER 135 Cb -0.07 -2.50 -0.16 0.00 0.21 0.00 0.00 66.02 63.50 3gkf s SER 135 CO 0.79 -0.99 0.75 0.00 0.41 0.00 0.00 173.24 174.20 3gkf s ALA 137 N -3.28 -1.81 0.10 0.00 0.00 -1.21 -4.07 121.76 111.49 3gkf s ALA 137 Ca -0.04 0.67 0.10 0.00 0.00 0.00 0.00 51.96 52.69 3gkf s ALA 137 Cb 0.11 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 3gkf s ALA 137 CO 0.84 -0.86 -0.26 0.14 0.00 0.00 0.00 175.76 175.62 3gkf s VAL 138 N -3.08 2.14 0.05 0.00 -7.23 -0.75 -0.69 120.40 110.85 3gkf s VAL 138 Ca 0.09 -1.60 0.05 0.00 -1.81 0.00 0.00 61.98 58.71 3gkf s VAL 138 Cb -0.01 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 3gkf s VAL 138 CO -0.04 0.17 -0.14 0.00 -0.31 0.00 0.00 175.10 174.78 3gkf s ALA 139 N -0.98 1.12 0.17 1.32 0.00 0.92 0.19 121.76 124.50 3gkf s ALA 139 Ca 0.12 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 51.09 3gkf s ALA 139 Cb -0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 3gkf s ALA 139 CO 0.04 0.18 0.32 0.00 0.00 0.00 0.00 175.76 176.31 3gkf s ALA 140 N -1.05 -0.14 -0.13 0.00 0.00 -0.60 0.19 121.76 120.04 3gkf s ALA 140 Ca -0.01 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 3gkf s ALA 140 Cb -0.09 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 3gkf s ALA 140 CO 0.02 -0.67 0.12 -0.65 0.00 0.00 0.00 175.76 174.57 3gkf s GLN 141 N -3.95 3.49 0.00 0.00 -1.52 -1.26 -0.44 119.66 115.98 3gkf s GLN 141 Ca 0.16 -0.18 0.03 0.00 -1.95 0.00 0.00 55.36 53.42 3gkf s GLN 141 Cb 0.03 -3.17 -0.03 0.00 -0.22 0.00 0.00 33.01 29.61 3gkf s GLN 141 CO -0.00 0.70 -0.07 0.54 -0.25 0.00 0.00 175.29 176.21 3gkf s VAL 142 N -0.80 3.65 -0.56 1.09 0.11 0.24 -4.79 120.40 119.33 3gkf s VAL 142 Ca 0.14 -0.77 0.06 0.00 -2.93 0.00 0.00 61.98 58.48 3gkf s VAL 142 Cb -0.12 -2.58 0.23 0.00 -1.53 0.00 0.00 36.38 32.38 3gkf s VAL 142 CO 0.03 0.40 0.62 -1.22 -3.33 0.00 0.00 175.10 171.60 3gkf n TYR 143 N 1.57 2.15 -1.76 1.54 4.01 -1.26 -0.91 117.16 122.50 3gkf n TYR 143 Ca -0.15 -3.95 -0.40 0.00 -0.16 0.00 0.00 57.90 53.23 3gkf n TYR 143 Cb 0.53 -0.45 0.01 0.00 -0.31 0.00 0.00 39.34 39.12 3gkf n TYR 143 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3gkf n ILE 144 N 1.32 2.63 0.00 -0.72 2.08 -1.26 -2.07 119.36 121.33 3gkf n ILE 144 Ca 0.26 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.07 3gkf n ILE 144 Cb 0.44 -1.85 0.00 0.00 -0.75 0.00 0.00 39.64 37.48 3gkf n ILE 144 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gkf n GLY 145 N 0.57 2.69 3.94 7.39 0.00 -1.26 -4.94 105.19 113.59 3gkf n GLY 145 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3gkf n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gkf s SER 146 N -1.87 4.15 0.33 1.61 0.01 -0.88 -4.97 113.70 112.08 3gkf s SER 146 Ca 0.00 0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.56 3gkf s SER 146 Cb 0.00 -0.67 0.58 0.00 0.21 0.00 0.00 66.02 66.13 3gkf s SER 146 CO 0.00 -2.05 1.97 -0.08 0.41 0.00 0.00 173.24 173.49 3gkf h GLU 147 N -0.98 0.84 -0.78 12.44 4.81 -1.94 -2.94 114.58 126.03 3gkf h GLU 147 Ca -0.43 -0.08 -0.52 0.00 -0.13 0.00 0.00 59.36 58.20 3gkf h GLU 147 Cb 1.28 -0.18 -0.31 0.00 0.63 0.00 0.00 28.75 30.18 3gkf h GLU 147 CO 0.50 0.60 0.03 0.66 -0.73 0.00 0.00 179.01 180.07 3gkf n TYR 148 N -4.40 2.61 0.12 0.92 4.01 -1.26 -4.68 117.16 114.48 3gkf n TYR 148 Ca 0.06 -2.38 0.02 0.00 -0.16 0.00 0.00 57.90 55.44 3gkf n TYR 148 Cb 0.08 -0.81 0.39 0.00 -0.31 0.00 0.00 39.34 38.69 3gkf n TYR 148 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3gkf h GLU 149 N 1.81 0.22 0.37 -0.72 4.81 -1.65 -2.01 114.58 117.41 3gkf h GLU 149 Ca 0.44 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 3gkf h GLU 149 Cb 1.37 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.73 3gkf h GLU 149 CO 1.01 0.37 -0.18 1.25 -0.73 0.00 0.00 179.01 180.74 3gkf h HIS 150 N 0.21 -0.46 -0.73 0.92 2.76 -1.87 -2.41 115.15 113.57 3gkf h HIS 150 Ca 0.04 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.28 3gkf h HIS 150 Cb 0.39 0.15 -0.05 0.00 1.55 0.00 0.00 27.41 29.46 3gkf h HIS 150 CO 0.01 -0.19 0.48 0.37 -1.30 0.00 0.00 177.93 177.30 3gkf h GLN 151 N -0.67 0.70 -0.33 5.26 5.75 -1.90 -1.08 115.11 122.83 3gkf h GLN 151 Ca -0.05 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.29 3gkf h GLN 151 Cb 0.48 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 3gkf h GLN 151 CO 0.08 0.46 -0.27 0.66 -2.65 0.00 0.00 178.83 177.12 3gkf h SER 152 N 0.72 0.68 -0.02 -0.69 4.64 -1.11 -0.52 113.55 117.25 3gkf h SER 152 Ca 0.32 -0.25 -0.24 0.00 -0.47 0.00 0.00 61.79 61.14 3gkf h SER 152 Cb 0.33 -0.19 0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3gkf h SER 152 CO -0.11 0.92 -0.94 0.40 -0.87 0.00 0.00 176.83 176.23 3gkf h ILE 153 N 0.58 1.30 -0.86 0.95 2.04 -0.83 -2.70 117.51 117.99 3gkf h ILE 153 Ca 0.08 -2.17 0.19 0.00 1.00 0.00 0.00 64.86 63.95 3gkf h ILE 153 Cb 0.76 2.34 -0.06 0.00 -0.74 0.00 0.00 36.82 39.12 3gkf h ILE 153 CO 0.06 0.67 0.57 0.11 0.00 0.00 0.00 178.15 179.56 3gkf h LYS 154 N 0.35 0.37 -0.38 2.37 1.57 -1.00 0.14 116.57 119.99 3gkf h LYS 154 Ca -0.11 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 3gkf h LYS 154 Cb 1.60 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 3gkf h LYS 154 CO 0.19 0.24 0.03 -0.91 -0.57 0.00 0.00 179.45 178.43 3gkf h ASN 155 N 0.38 0.63 -0.42 0.86 2.35 -0.77 -0.60 115.58 118.00 3gkf h ASN 155 Ca 0.44 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 3gkf h ASN 155 Cb 1.12 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.30 3gkf h ASN 155 CO -0.15 0.75 0.14 0.40 -1.65 0.00 0.00 177.43 176.93 3gkf h ILE 156 N 0.48 1.21 -0.25 2.81 1.08 -0.69 -1.71 117.51 120.44 3gkf h ILE 156 Ca 0.11 -0.69 0.06 0.00 -0.39 0.00 0.00 64.86 63.95 3gkf h ILE 156 Cb 0.41 0.87 -0.06 0.00 -3.07 0.00 0.00 36.82 34.97 3gkf h ILE 156 CO 0.01 0.25 -0.14 0.40 -0.69 0.00 0.00 178.15 177.98 3gkf h ILE 157 N 0.54 0.57 -0.50 -0.67 2.04 -0.61 0.47 117.51 119.36 3gkf h ILE 157 Ca 0.14 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 3gkf h ILE 157 Cb 0.24 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3gkf h ILE 157 CO -0.01 0.00 0.13 -0.61 0.00 0.00 0.00 178.15 177.67 3gkf h GLN 158 N -0.12 0.75 -0.18 2.37 4.15 -0.72 0.80 115.11 122.16 3gkf h GLN 158 Ca 0.14 -0.14 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 3gkf h GLN 158 Cb 0.32 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3gkf h GLN 158 CO -0.33 0.67 -0.56 -0.07 -1.93 0.00 0.00 178.83 176.62 3gkf h LEU 159 N 0.73 0.61 -0.44 -2.39 3.38 -0.39 -2.36 115.31 114.46 3gkf h LEU 159 Ca 0.17 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 3gkf h LEU 159 Cb 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3gkf h LEU 159 CO -0.00 1.05 -0.22 0.58 0.09 0.00 0.00 178.44 179.93 3gkf h VAL 160 N 0.42 1.27 -0.81 1.22 2.07 0.10 0.16 116.25 120.68 3gkf h VAL 160 Ca 0.01 -1.37 0.09 0.00 0.82 0.00 0.00 66.70 66.24 3gkf h VAL 160 Cb 1.10 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 32.02 3gkf h VAL 160 CO 0.10 0.47 0.46 0.44 0.02 0.00 0.00 177.57 179.06 3gkf h ASP 161 N 0.76 0.66 0.09 0.57 3.32 -0.75 -0.75 116.42 120.31 3gkf h ASP 161 Ca 0.10 0.05 -0.24 0.00 0.02 0.00 0.00 57.03 56.95 3gkf h ASP 161 Cb 0.79 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.27 3gkf h ASP 161 CO 0.07 0.38 -0.95 0.00 -1.72 0.00 0.00 179.24 177.01 3gkf h ALA 162 N 1.44 0.25 -0.18 3.45 0.00 -1.20 -3.26 119.26 119.76 3gkf h ALA 162 Ca 0.39 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 3gkf h ALA 162 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3gkf h ALA 162 CO -0.24 0.73 -0.43 0.78 0.00 0.00 0.00 179.25 180.09 3gkf h GLY 163 N 0.72 0.48 2.00 0.00 0.00 -0.27 -2.61 103.07 103.38 3gkf h GLY 163 Ca -0.10 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 3gkf h GLY 163 CO 0.18 0.44 -0.24 -0.33 0.00 0.00 0.00 176.54 176.59 3gkf h MET 164 N 0.36 0.00 0.00 4.80 2.07 -1.19 0.70 114.93 121.68 3gkf h MET 164 Ca 0.03 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.63 3gkf h MET 164 Cb 0.91 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.63 3gkf h MET 164 CO 0.08 0.24 -0.11 0.87 1.07 0.00 0.00 176.91 179.05 3gkf h LYS 165 N 0.00 0.00 0.00 1.72 1.57 -1.51 -3.35 116.57 115.00 3gkf h LYS 165 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gkf h LYS 165 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3gkf h LYS 165 CO 0.03 0.11 0.00 1.55 -0.57 0.00 0.00 179.45 180.57 3gkf n VAL 166 N -3.32 0.00 -0.39 0.50 3.14 0.03 -5.01 118.33 113.28 3gkf n VAL 166 Ca -0.00 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 3gkf n VAL 166 Cb 0.33 1.24 0.00 0.00 -1.06 0.00 0.00 33.84 34.34 3gkf n VAL 166 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gkf n GLY 167 N 0.26 0.78 3.60 7.55 0.00 0.22 -4.96 105.19 112.65 3gkf n GLY 167 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 3gkf n GLY 167 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gkf s MET 168 N -0.71 4.00 0.54 1.61 0.00 -0.26 -3.96 119.30 120.52 3gkf s MET 168 Ca 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 55.69 55.43 3gkf s MET 168 Cb 0.00 -3.65 -0.06 0.00 0.00 0.00 0.00 34.83 31.12 3gkf s MET 168 CO 0.00 -0.24 1.06 -2.14 0.00 0.00 0.00 175.02 173.70 3gkf s PRO 169 N 1.95 3.51 -0.08 4.11 0.02 -1.26 -4.33 135.00 138.92 3gkf s PRO 169 Ca 0.12 1.31 0.04 0.00 0.02 0.00 0.00 61.00 62.49 3gkf s PRO 169 Cb -0.16 -2.05 -0.01 0.00 0.02 0.00 0.00 34.50 32.29 3gkf s PRO 169 CO 0.10 -0.66 -0.20 0.99 -0.33 0.00 0.00 177.00 176.90 3gkf s THR 170 N -2.19 2.53 -0.22 0.99 2.01 -1.26 -1.81 115.64 115.69 3gkf s THR 170 Ca 0.66 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 61.71 3gkf s THR 170 Cb -0.17 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 3gkf s THR 170 CO 0.29 0.56 0.03 -0.32 -0.69 0.00 0.00 174.62 174.49 3gkf s MET 171 N -0.13 3.63 -0.23 4.92 1.75 0.13 -0.67 119.30 128.69 3gkf s MET 171 Ca -0.03 -0.50 -0.10 0.00 -1.25 0.00 0.00 55.69 53.81 3gkf s MET 171 Cb -0.14 -3.19 -0.05 0.00 2.84 0.00 0.00 34.83 34.30 3gkf s MET 171 CO 0.04 -0.08 0.13 0.00 -0.65 0.00 0.00 175.02 174.46 3gkf s ALA 172 N 1.28 3.50 -0.15 4.11 0.00 0.26 -1.55 121.76 129.20 3gkf s ALA 172 Ca 0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 3gkf s ALA 172 Cb -0.15 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 3gkf s ALA 172 CO 0.02 -0.20 0.01 0.08 0.00 0.00 0.00 175.76 175.68 3gkf s VAL 173 N 1.07 4.37 -0.46 0.00 1.01 0.42 -0.97 120.40 125.84 3gkf s VAL 173 Ca 0.06 -0.19 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 3gkf s VAL 173 Cb -0.14 -2.92 0.03 0.00 0.00 0.00 0.00 36.38 33.35 3gkf s VAL 173 CO 0.04 0.51 0.82 0.42 0.00 0.00 0.00 175.10 176.89 3gkf s THR 174 N 0.09 4.60 0.11 3.92 -4.23 -0.85 0.80 115.64 120.07 3gkf s THR 174 Ca 0.02 0.45 -0.02 0.00 -1.18 0.00 0.00 61.69 60.96 3gkf s THR 174 Cb -0.13 -4.36 -0.05 0.00 1.34 0.00 0.00 72.50 69.31 3gkf s THR 174 CO 0.02 -0.77 0.29 -0.83 -0.54 0.00 0.00 174.62 172.79 3gkf s GLY 175 N 2.23 2.19 0.00 3.99 0.00 -0.08 -4.83 107.32 110.82 3gkf s GLY 175 Ca 0.31 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.31 3gkf s GLY 175 CO 0.23 -0.67 0.00 -0.62 0.00 0.00 0.00 173.10 172.04 3gkf n VAL 176 N 0.14 0.00 -2.22 1.40 0.31 -1.26 -4.38 118.33 112.33 3gkf n VAL 176 Ca -0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.26 3gkf n VAL 176 Cb 0.51 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.46 3gkf n VAL 176 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3gkf n ARG 182 N 0.00 0.46 -4.03 5.55 0.63 -1.26 -5.06 116.66 112.95 3gkf n ARG 182 Ca 0.00 -0.82 -0.27 0.00 -0.92 0.00 0.00 57.85 55.84 3gkf n ARG 182 Cb 0.00 0.42 -0.02 0.00 0.45 0.00 0.00 32.46 33.31 3gkf n ARG 182 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3gkf s ASP 183 N -0.79 4.55 0.12 6.15 -4.77 -1.26 -4.96 116.67 115.70 3gkf s ASP 183 Ca 0.03 -1.29 -0.26 0.00 -3.30 0.00 0.00 52.55 47.74 3gkf s ASP 183 Cb 0.15 0.34 -0.06 0.00 -1.09 0.00 0.00 42.92 42.26 3gkf s ASP 183 CO -0.04 -1.01 1.64 -0.61 0.70 0.00 0.00 175.17 175.85 3gkf h GLN 184 N 0.90 -0.39 -1.01 2.11 -0.00 -1.92 -1.56 115.11 113.25 3gkf h GLN 184 Ca -0.38 0.03 0.24 0.00 -0.00 0.00 0.00 58.65 58.53 3gkf h GLN 184 Cb 1.30 0.09 -0.12 0.00 0.00 0.00 0.00 27.48 28.75 3gkf h GLN 184 CO 0.61 -0.26 0.60 0.07 0.00 0.00 0.00 178.83 179.85 3gkf h ARG 185 N -0.40 0.58 0.19 1.69 0.11 -1.94 0.21 114.38 114.82 3gkf h ARG 185 Ca 0.05 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.09 3gkf h ARG 185 Cb 0.46 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.41 3gkf h ARG 185 CO -0.19 0.38 -0.09 -0.92 0.10 0.00 0.00 179.97 179.25 3gkf h TYR 186 N 0.59 -0.23 0.00 4.08 3.20 -1.70 -2.37 116.97 120.53 3gkf h TYR 186 Ca 0.64 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.47 3gkf h TYR 186 Cb 1.20 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 3gkf h TYR 186 CO -0.01 0.09 -0.17 0.74 -1.64 0.00 0.00 178.16 177.17 3gkf h PHE 187 N -0.58 0.00 0.29 -3.82 0.04 -0.63 -1.60 116.94 110.65 3gkf h PHE 187 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3gkf h PHE 187 Cb 0.43 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 3gkf h PHE 187 CO 0.03 0.17 -0.31 0.77 -0.60 0.00 0.00 178.31 178.37 3gkf h SER 188 N 0.00 -0.83 -0.23 2.17 0.02 -0.50 0.23 113.55 114.41 3gkf h SER 188 Ca -0.00 0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3gkf h SER 188 Cb 0.32 0.28 -0.07 0.00 0.14 0.00 0.00 62.40 63.07 3gkf h SER 188 CO 0.02 -0.43 -0.26 0.25 -1.14 0.00 0.00 176.83 175.27 3gkf h LEU 189 N -0.63 -0.84 -0.25 5.07 5.85 -0.86 -0.49 115.31 123.16 3gkf h LEU 189 Ca -0.01 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3gkf h LEU 189 Cb 0.58 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3gkf h LEU 189 CO -0.07 -0.30 0.02 0.00 -0.34 0.00 0.00 178.44 177.76 3gkf h ALA 190 N 0.72 0.34 -0.49 1.25 0.00 -1.12 -1.09 119.26 118.87 3gkf h ALA 190 Ca 0.13 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3gkf h ALA 190 Cb 0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3gkf h ALA 190 CO -0.39 0.04 0.03 1.79 0.00 0.00 0.00 179.25 180.72 3gkf h THR 191 N 0.22 1.26 -0.40 0.00 1.35 -0.36 -2.58 112.91 112.39 3gkf h THR 191 Ca 0.07 -1.02 -0.11 0.00 -0.55 0.00 0.00 66.41 64.80 3gkf h THR 191 Cb 0.37 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 3gkf h THR 191 CO 0.01 0.36 -0.19 -0.09 -0.25 0.00 0.00 175.52 175.36 3gkf h ARG 192 N 0.71 0.84 -0.11 4.72 9.65 -0.96 0.09 114.38 129.32 3gkf h ARG 192 Ca 0.14 -0.36 0.01 0.00 -1.10 0.00 0.00 59.98 58.67 3gkf h ARG 192 Cb 0.47 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 3gkf h ARG 192 CO 0.02 1.00 0.04 0.82 2.80 0.00 0.00 179.97 184.65 3gkf h ILE 193 N 0.65 0.98 -0.40 1.20 2.04 -1.21 -0.68 117.51 120.10 3gkf h ILE 193 Ca 0.09 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 65.97 3gkf h ILE 193 Cb 0.74 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 3gkf h ILE 193 CO 0.06 0.02 0.12 0.00 0.00 0.00 0.00 178.15 178.35 3gkf h ALA 194 N 1.06 0.46 -0.46 1.87 0.00 -1.19 0.11 119.26 121.11 3gkf h ALA 194 Ca 0.05 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3gkf h ALA 194 Cb 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3gkf h ALA 194 CO -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 178.93 3gkf h ALA 195 N 1.27 1.13 -0.27 0.00 0.00 -0.73 -2.32 119.26 118.34 3gkf h ALA 195 Ca 0.19 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3gkf h ALA 195 Cb 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gkf h ALA 195 CO -0.21 0.56 -0.46 1.49 0.00 0.00 0.00 179.25 180.64 3gkf h GLU 196 N 0.71 0.79 -0.66 0.00 4.57 -0.57 -2.11 114.58 117.30 3gkf h GLU 196 Ca 0.14 -0.49 0.06 0.00 -1.18 0.00 0.00 59.36 57.90 3gkf h GLU 196 Cb 0.44 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 3gkf h GLU 196 CO 0.02 1.11 0.44 0.52 -1.18 0.00 0.00 179.01 179.92 3gkf h MET 197 N 0.54 0.65 0.00 1.92 2.86 -0.25 -3.45 114.93 117.19 3gkf h MET 197 Ca 0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3gkf h MET 197 Cb 1.06 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3gkf h MET 197 CO 0.10 0.43 0.00 0.41 1.06 0.00 0.00 176.91 178.91 3gkf n GLY 198 N -1.46 -0.79 3.74 8.32 0.00 -0.80 -4.94 105.19 109.25 3gkf n GLY 198 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3gkf n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf s ALA 199 N 0.00 3.62 0.05 4.61 0.00 -1.05 -4.84 121.76 124.14 3gkf s ALA 199 Ca 0.00 1.28 0.07 0.00 0.00 0.00 0.00 51.96 53.32 3gkf s ALA 199 Cb 0.00 -3.55 -0.23 0.00 0.00 0.00 0.00 23.12 19.35 3gkf s ALA 199 CO 0.00 -0.70 1.00 1.96 0.00 0.00 0.00 175.76 178.02 3gkf h GLN 200 N 5.28 0.04 -5.25 0.00 7.50 -1.23 -3.42 115.11 118.04 3gkf h GLN 200 Ca -0.45 -0.06 -0.64 0.00 0.50 0.00 0.00 58.65 57.99 3gkf h GLN 200 Cb 1.22 0.02 -0.33 0.00 0.05 0.00 0.00 27.48 28.44 3gkf h GLN 200 CO 0.79 0.84 -0.86 0.42 -1.50 0.00 0.00 178.83 178.51 3gkf s ILE 201 N -2.66 1.83 -0.17 2.54 1.01 -0.79 -3.67 121.20 119.30 3gkf s ILE 201 Ca -0.02 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 3gkf s ILE 201 Cb 0.09 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3gkf s ILE 201 CO 0.83 0.51 0.04 -0.63 0.00 0.00 0.00 174.94 175.69 3gkf s ILE 202 N 0.33 4.60 -0.12 2.92 -1.09 -0.30 -0.58 121.20 126.97 3gkf s ILE 202 Ca -0.15 -0.10 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 3gkf s ILE 202 Cb -0.17 -3.06 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 3gkf s ILE 202 CO 0.07 0.47 -0.15 -0.75 -1.23 0.00 0.00 174.94 173.35 3gkf s LYS 203 N 0.31 3.23 0.15 2.79 2.20 -0.15 -0.54 119.74 127.73 3gkf s LYS 203 Ca 0.02 -0.72 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 3gkf s LYS 203 Cb -0.13 -2.55 0.01 0.00 -1.51 0.00 0.00 37.83 33.65 3gkf s LYS 203 CO 0.01 0.26 0.24 -2.37 -0.36 0.00 0.00 175.35 173.12 3gkf n THR 204 N 3.38 0.00 -3.95 3.43 5.66 0.15 -2.01 114.28 120.94 3gkf n THR 204 Ca -0.18 -0.61 -0.30 0.00 -3.05 0.00 0.00 64.05 59.91 3gkf n THR 204 Cb 0.53 0.43 -0.04 0.00 -1.55 0.00 0.00 70.33 69.69 3gkf n THR 204 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3gkf s TYR 205 N -4.91 3.45 0.43 1.09 2.02 -1.26 0.99 117.35 119.16 3gkf s TYR 205 Ca 0.10 0.19 -0.21 0.00 -0.37 0.00 0.00 57.07 56.77 3gkf s TYR 205 Cb -0.01 -1.71 -0.11 0.00 -0.40 0.00 0.00 41.96 39.73 3gkf s TYR 205 CO 0.07 0.56 0.96 -0.47 -1.57 0.00 0.00 175.55 175.10 3gkf s TYR 206 N -1.55 3.31 -0.05 2.71 5.04 -1.26 -4.93 117.35 120.62 3gkf s TYR 206 Ca 0.34 1.62 0.02 0.00 -2.44 0.00 0.00 57.07 56.61 3gkf s TYR 206 Cb -0.12 -2.88 0.01 0.00 0.35 0.00 0.00 41.96 39.32 3gkf s TYR 206 CO 0.27 -0.16 -0.10 0.08 -1.34 0.00 0.00 175.55 174.30 3gkf s VAL 207 N -2.11 0.89 0.33 3.14 1.01 -1.26 -5.03 120.40 117.38 3gkf s VAL 207 Ca 0.62 -0.37 0.11 0.00 0.00 0.00 0.00 61.98 62.33 3gkf s VAL 207 Cb -0.11 -0.82 0.05 0.00 0.00 0.00 0.00 36.38 35.50 3gkf s VAL 207 CO 0.15 0.29 1.75 -0.33 0.00 0.00 0.00 175.10 176.96 3gkf h GLU 208 N 6.79 0.05 -5.06 2.72 5.08 -1.97 -3.34 114.58 118.85 3gkf h GLU 208 Ca -0.34 -0.02 -0.67 0.00 -1.00 0.00 0.00 59.36 57.33 3gkf h GLU 208 Cb 1.17 -0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.08 3gkf h GLU 208 CO 0.48 0.48 -0.84 0.21 -1.00 0.00 0.00 179.01 178.34 3gkf s LYS 209 N -4.06 3.05 0.00 2.33 2.20 -1.26 -4.80 119.74 117.19 3gkf s LYS 209 Ca -0.03 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 3gkf s LYS 209 Cb 0.14 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 3gkf s LYS 209 CO 0.74 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.95 3gkf n GLY 210 N 4.62 0.73 0.40 5.54 0.00 -1.26 -4.40 105.19 110.81 3gkf n GLY 210 Ca -0.21 -0.20 0.19 0.00 0.00 0.00 0.00 46.02 45.80 3gkf n GLY 210 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gkf h PHE 211 N 0.00 0.35 -0.76 1.61 3.57 -1.87 -1.38 116.94 118.46 3gkf h PHE 211 Ca 0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 3gkf h PHE 211 Cb 0.00 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.58 3gkf h PHE 211 CO 0.00 0.12 0.46 0.93 -2.23 0.00 0.00 178.31 177.59 3gkf h GLU 212 N 0.29 0.83 -0.58 1.11 5.08 -1.92 -0.75 114.58 118.64 3gkf h GLU 212 Ca 0.39 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 3gkf h GLU 212 Cb 1.09 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 3gkf h GLU 212 CO -0.10 0.55 0.21 0.00 -1.00 0.00 0.00 179.01 178.67 3gkf h ARG 213 N 0.86 0.85 0.29 2.33 3.08 -1.64 0.25 114.38 120.40 3gkf h ARG 213 Ca 0.33 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3gkf h ARG 213 Cb 0.13 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3gkf h ARG 213 CO -0.16 0.71 -0.14 0.82 -1.07 0.00 0.00 179.97 180.14 3gkf h ILE 214 N 0.83 0.75 0.15 2.04 2.04 -1.09 0.36 117.51 122.59 3gkf h ILE 214 Ca 0.20 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3gkf h ILE 214 Cb 0.20 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3gkf h ILE 214 CO -0.01 0.07 -0.14 0.58 0.00 0.00 0.00 178.15 178.64 3gkf h VAL 215 N -0.55 0.68 -0.84 1.67 2.07 -1.08 -1.98 116.25 116.22 3gkf h VAL 215 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 3gkf h VAL 215 Cb 0.41 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3gkf h VAL 215 CO 0.06 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.20 3gkf h ALA 216 N 0.50 1.66 0.00 1.67 0.00 -0.45 -0.66 119.26 121.99 3gkf h ALA 216 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gkf h ALA 216 Cb 0.30 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gkf h ALA 216 CO -0.04 0.18 0.00 0.78 0.00 0.00 0.00 179.25 180.17 3gkf h GLY 217 N 0.84 0.00 -5.54 0.00 0.00 -0.70 -3.44 103.07 94.24 3gkf h GLY 217 Ca 0.38 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.13 3gkf h GLY 217 CO -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 176.28 3gkf n PRO 219 N 3.79 1.59 -4.20 0.00 -0.04 -1.26 -4.90 135.00 129.97 3gkf n PRO 219 Ca -0.06 -0.88 -0.12 0.00 -0.04 0.00 0.00 63.50 62.39 3gkf n PRO 219 Cb 0.51 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 3gkf n PRO 219 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gkf s VAL 220 N -1.86 0.28 0.43 0.52 -7.23 -1.26 -3.45 120.40 107.83 3gkf s VAL 220 Ca 0.33 -1.96 -0.25 0.00 -1.81 0.00 0.00 61.98 58.29 3gkf s VAL 220 Cb 0.17 -2.24 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 3gkf s VAL 220 CO 0.27 -0.31 1.34 -2.65 -0.31 0.00 0.00 175.10 173.44 3gkf n PRO 221 N -0.22 2.06 -4.98 4.82 -0.02 -1.24 -4.74 135.00 130.69 3gkf n PRO 221 Ca -0.03 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 61.86 3gkf n PRO 221 Cb 0.64 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.50 3gkf n PRO 221 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gkf s ILE 222 N -1.19 2.76 0.03 4.25 1.01 -1.26 -1.15 121.20 125.64 3gkf s ILE 222 Ca 0.61 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 60.53 3gkf s ILE 222 Cb -0.49 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 3gkf s ILE 222 CO 0.58 0.57 -0.23 -0.69 0.00 0.00 0.00 174.94 175.16 3gkf s VAL 223 N -0.29 1.88 -0.07 2.92 1.01 0.30 0.48 120.40 126.63 3gkf s VAL 223 Ca 0.01 -1.22 -0.00 0.00 0.00 0.00 0.00 61.98 60.77 3gkf s VAL 223 Cb -0.13 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 3gkf s VAL 223 CO 0.03 0.34 -0.04 0.27 0.00 0.00 0.00 175.10 175.70 3gkf s ILE 224 N -0.74 3.96 0.24 2.22 -4.36 -0.96 0.32 121.20 121.88 3gkf s ILE 224 Ca 0.09 -0.39 -0.12 0.00 -0.26 0.00 0.00 60.65 59.97 3gkf s ILE 224 Cb -0.09 -2.64 -0.08 0.00 1.25 0.00 0.00 42.46 40.90 3gkf s ILE 224 CO 0.01 0.59 0.61 0.00 0.24 0.00 0.00 174.94 176.39 3gkf s ALA 225 N -0.85 3.50 0.09 2.27 0.00 0.28 0.11 121.76 127.15 3gkf s ALA 225 Ca 0.13 -0.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.80 3gkf s ALA 225 Cb -0.11 -2.56 -0.13 0.00 0.00 0.00 0.00 23.12 20.32 3gkf s ALA 225 CO 0.02 0.44 1.33 0.78 0.00 0.00 0.00 175.76 178.34 3gkf h GLY 226 N 2.73 0.76 0.00 0.00 0.00 -0.68 -3.39 103.07 102.49 3gkf h GLY 226 Ca -0.47 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 45.92 3gkf h GLY 226 CO 0.67 0.84 0.00 0.61 0.00 0.00 0.00 176.54 178.66 3gkf n GLY 227 N 0.48 -1.60 3.64 4.60 0.00 -1.26 -4.92 105.19 106.13 3gkf n GLY 227 Ca -0.06 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 3gkf n GLY 227 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gkf n LYS 228 N 0.00 0.68 -1.75 1.61 2.85 -1.26 -4.47 118.16 115.82 3gkf n LYS 228 Ca 0.00 0.29 -0.42 0.00 -1.05 0.00 0.00 58.31 57.13 3gkf n LYS 228 Cb 0.00 -2.27 -0.01 0.00 -0.65 0.00 0.00 35.03 32.10 3gkf n LYS 228 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3gkf n LYS 229 N -1.73 2.67 -4.43 -1.58 3.00 -1.26 -4.81 118.16 110.02 3gkf n LYS 229 Ca 0.14 0.95 -0.21 0.00 -0.00 0.00 0.00 58.31 59.18 3gkf n LYS 229 Cb 0.49 -2.71 -0.10 0.00 0.00 0.00 0.00 35.03 32.70 3gkf n LYS 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3gkf s LEU 230 N -0.74 2.51 0.30 3.14 1.43 -1.26 -5.03 118.68 119.03 3gkf s LEU 230 Ca 0.62 -1.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.26 3gkf s LEU 230 Cb -0.50 -0.68 -0.12 0.00 0.03 0.00 0.00 46.19 44.92 3gkf s LEU 230 CO 0.51 -0.30 1.49 -0.81 0.23 0.00 0.00 176.35 177.48 3gkf n PRO 231 N -0.57 2.45 -0.19 1.29 -0.04 -1.26 -4.76 135.00 131.92 3gkf n PRO 231 Ca -0.06 0.87 -0.03 0.00 -0.04 0.00 0.00 63.50 64.24 3gkf n PRO 231 Cb 0.63 -2.58 0.03 0.00 -0.04 0.00 0.00 33.50 31.54 3gkf n PRO 231 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gkf h GLU 232 N 4.02 -0.10 -0.90 0.54 3.07 -1.99 0.22 114.58 119.44 3gkf h GLU 232 Ca -0.47 0.01 0.25 0.00 -0.50 0.00 0.00 59.36 58.64 3gkf h GLU 232 Cb 1.25 0.02 -0.16 0.00 -0.84 0.00 0.00 28.75 29.03 3gkf h GLU 232 CO 0.73 -0.07 0.14 -0.09 -1.40 0.00 0.00 179.01 178.33 3gkf h ARG 233 N -0.10 0.11 -0.05 2.33 1.12 -1.98 0.15 114.38 115.95 3gkf h ARG 233 Ca 0.26 -0.01 -0.19 0.00 -1.11 0.00 0.00 59.98 58.93 3gkf h ARG 233 Cb 0.51 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.44 3gkf h ARG 233 CO -0.65 0.07 -0.79 0.93 -3.11 0.00 0.00 179.97 176.42 3gkf h GLU 234 N 0.11 0.38 -0.20 0.20 5.08 -0.94 -2.18 114.58 117.03 3gkf h GLU 234 Ca 0.56 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3gkf h GLU 234 Cb 1.15 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3gkf h GLU 234 CO -0.75 0.99 0.02 0.00 -1.00 0.00 0.00 179.01 178.27 3gkf h ALA 235 N 0.90 0.27 -0.63 3.43 0.00 -0.31 -1.93 119.26 120.98 3gkf h ALA 235 Ca -0.04 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.74 3gkf h ALA 235 Cb 1.38 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 3gkf h ALA 235 CO 0.13 -0.04 0.33 -0.07 0.00 0.00 0.00 179.25 179.60 3gkf h LEU 236 N 0.12 0.46 -0.66 0.00 3.38 -0.76 0.18 115.31 118.02 3gkf h LEU 236 Ca 0.06 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3gkf h LEU 236 Cb 0.36 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3gkf h LEU 236 CO 0.01 0.29 0.42 -0.08 0.09 0.00 0.00 178.44 179.17 3gkf h GLU 237 N 0.60 0.81 -0.18 1.13 4.22 -1.20 0.69 114.58 120.65 3gkf h GLU 237 Ca 0.29 -0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.72 3gkf h GLU 237 Cb 0.23 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3gkf h GLU 237 CO -0.21 0.54 -0.05 1.98 -2.18 0.00 0.00 179.01 179.09 3gkf h MET 238 N 0.84 -0.01 -0.04 1.92 4.05 -0.51 0.32 114.93 121.50 3gkf h MET 238 Ca 0.26 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.72 3gkf h MET 238 Cb -0.02 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.74 3gkf h MET 238 CO -0.09 -0.01 -0.26 0.00 0.23 0.00 0.00 176.91 176.78 3gkf h TRP 240 N -0.38 0.51 -0.14 0.00 7.01 0.10 -1.27 115.95 121.78 3gkf h TRP 240 Ca 0.07 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 3gkf h TRP 240 Cb 0.49 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 3gkf h TRP 240 CO -0.32 0.20 0.07 1.96 -2.79 0.00 0.00 178.44 177.56 3gkf h GLN 241 N 0.52 0.19 -0.09 2.65 1.08 0.19 0.80 115.11 120.46 3gkf h GLN 241 Ca 0.29 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.50 3gkf h GLN 241 Cb 0.27 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 3gkf h GLN 241 CO -0.23 0.24 -0.17 0.00 -0.95 0.00 0.00 178.83 177.72 3gkf h ALA 242 N 0.95 -0.13 0.11 3.87 0.00 -0.14 0.03 119.26 123.95 3gkf h ALA 242 Ca 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gkf h ALA 242 Cb 0.11 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3gkf h ALA 242 CO -0.01 -0.63 -0.05 0.82 0.00 0.00 0.00 179.25 179.38 3gkf h ILE 243 N -0.23 0.90 -0.62 0.00 1.08 -1.14 -1.40 117.51 116.10 3gkf h ILE 243 Ca 0.08 -0.06 0.18 0.00 -0.39 0.00 0.00 64.86 64.67 3gkf h ILE 243 Cb 0.35 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 3gkf h ILE 243 CO -0.22 0.01 0.45 -0.78 -0.69 0.00 0.00 178.15 176.93 3gkf h ASP 244 N -0.18 0.00 -0.64 1.72 3.58 -0.51 0.36 116.42 120.76 3gkf h ASP 244 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3gkf h ASP 244 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 3gkf h ASP 244 CO 0.03 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.39 3gkf n GLN 245 N -4.30 3.83 0.00 0.28 6.02 -0.03 -4.94 117.38 118.24 3gkf n GLN 245 Ca 0.12 -2.87 0.00 0.00 -0.01 0.00 0.00 57.00 54.24 3gkf n GLN 245 Cb 0.70 -1.93 0.00 0.00 1.02 0.00 0.00 30.24 30.03 3gkf n GLN 245 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gkf n GLY 246 N 1.10 1.01 3.76 1.08 0.00 0.13 -4.61 105.19 107.67 3gkf n GLY 246 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 3gkf n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf s ALA 247 N -2.00 2.41 -1.34 4.61 0.00 -0.61 -4.84 121.76 119.98 3gkf s ALA 247 Ca 0.00 0.59 0.21 0.00 0.00 0.00 0.00 51.96 52.76 3gkf s ALA 247 Cb 0.00 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.64 3gkf s ALA 247 CO 0.00 -1.37 0.94 0.43 0.00 0.00 0.00 175.76 175.77 3gkf n SER 248 N -2.48 1.35 -3.67 0.00 7.64 0.18 -4.65 113.62 111.99 3gkf n SER 248 Ca 0.11 -1.17 -0.01 0.00 1.01 0.00 0.00 58.87 58.80 3gkf n SER 248 Cb 0.52 0.81 -0.01 0.00 -1.01 0.00 0.00 64.21 64.52 3gkf n SER 248 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gkf s GLY 249 N -2.75 -0.34 0.00 0.23 0.00 -1.14 -1.01 107.32 102.31 3gkf s GLY 249 Ca 0.11 0.49 0.02 0.00 0.00 0.00 0.00 44.72 45.35 3gkf s GLY 249 CO 0.74 0.09 -0.06 -1.34 0.00 0.00 0.00 173.10 172.53 3gkf s VAL 250 N -2.80 0.47 -0.26 1.40 -7.23 -1.01 -2.26 120.40 108.72 3gkf s VAL 250 Ca 0.13 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 3gkf s VAL 250 Cb 0.02 -0.42 0.04 0.00 0.56 0.00 0.00 36.38 36.59 3gkf s VAL 250 CO -0.01 0.07 -0.08 -0.62 -0.31 0.00 0.00 175.10 174.15 3gkf s ASP 251 N -0.31 4.40 -0.50 4.85 2.15 0.31 -1.98 116.67 125.58 3gkf s ASP 251 Ca 0.01 -1.14 -0.16 0.00 0.43 0.00 0.00 52.55 51.69 3gkf s ASP 251 Cb -0.03 -1.62 0.09 0.00 -0.30 0.00 0.00 42.92 41.06 3gkf s ASP 251 CO -0.00 -0.17 0.47 -0.04 -0.17 0.00 0.00 175.17 175.25 3gkf s MET 252 N 1.22 3.00 0.00 4.34 -1.94 -1.25 0.08 119.30 124.76 3gkf s MET 252 Ca -0.04 -1.39 0.00 0.00 -1.71 0.00 0.00 55.69 52.55 3gkf s MET 252 Cb -0.18 -4.18 0.00 0.00 2.01 0.00 0.00 34.83 32.48 3gkf s MET 252 CO -0.05 -1.16 0.00 0.41 -0.01 0.00 0.00 175.02 174.22 3gkf n GLY 253 N 5.22 1.74 0.32 -0.03 0.00 -1.26 -3.91 105.19 107.26 3gkf n GLY 253 Ca -0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3gkf n GLY 253 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gkf h ARG 254 N 0.00 0.60 0.00 1.61 -0.00 -1.89 0.51 114.38 115.21 3gkf h ARG 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 3gkf h ARG 254 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 29.84 3gkf h ARG 254 CO 0.00 0.40 0.00 0.09 0.00 0.00 0.00 179.97 180.46 3gkf n ASN 255 N -4.88 0.00 0.00 7.04 3.02 -1.26 -1.17 115.26 118.01 3gkf n ASN 255 Ca 0.20 0.26 -0.01 0.00 -0.03 0.00 0.00 54.58 55.00 3gkf n ASN 255 Cb 0.53 -0.28 -0.00 0.00 -0.61 0.00 0.00 39.78 39.41 3gkf n ASN 255 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3gkf n ILE 256 N -1.28 0.44 0.31 2.41 5.41 0.17 -4.38 119.36 122.45 3gkf n ILE 256 Ca 0.01 0.21 0.20 0.00 1.00 0.00 0.00 62.75 64.17 3gkf n ILE 256 Cb 0.01 -1.38 1.02 0.00 -0.71 0.00 0.00 39.64 38.58 3gkf n ILE 256 CO 0.00 0.00 0.00 2.19 0.00 0.00 0.00 176.55 178.74 3gkf h PHE 257 N -0.10 0.00 0.00 1.39 -5.15 -1.39 -0.72 116.94 110.96 3gkf h PHE 257 Ca 0.00 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.72 3gkf h PHE 257 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.27 3gkf h PHE 257 CO -0.05 0.02 -1.07 1.96 -2.00 0.00 0.00 178.31 177.17 3gkf h GLN 258 N 0.00 0.00 -7.03 6.09 4.20 -1.36 -3.47 115.11 113.54 3gkf h GLN 258 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 3gkf h GLN 258 Cb 0.14 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.06 3gkf h GLN 258 CO 0.00 0.09 0.58 0.45 -0.67 0.00 0.00 178.83 179.29 3gkf n SER 259 N -2.77 2.61 0.27 1.46 2.88 -0.28 -4.87 113.62 112.91 3gkf n SER 259 Ca -0.03 0.97 0.13 0.00 -1.33 0.00 0.00 58.87 58.62 3gkf n SER 259 Cb 0.64 -1.57 0.73 0.00 -0.75 0.00 0.00 64.21 63.26 3gkf n SER 259 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3gkf h ASP 260 N 1.39 0.00 -2.16 -3.46 3.32 -1.91 -3.28 116.42 110.32 3gkf h ASP 260 Ca -0.51 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.96 3gkf h ASP 260 Cb 1.31 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.45 3gkf h ASP 260 CO 0.57 0.11 -0.79 1.41 -1.72 0.00 0.00 179.24 178.82 3gkf n HIS 261 N -3.57 2.03 0.23 4.55 8.25 -1.26 -4.99 115.22 120.47 3gkf n HIS 261 Ca -0.02 -3.92 -0.17 0.00 -0.26 0.00 0.00 57.72 53.35 3gkf n HIS 261 Cb 0.24 -0.46 -0.09 0.00 1.12 0.00 0.00 29.99 30.80 3gkf n HIS 261 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3gkf h PRO 262 N 4.20 -0.87 -0.99 -0.41 0.11 -1.78 -2.16 132.00 130.10 3gkf h PRO 262 Ca 0.15 0.06 0.09 0.00 0.11 0.00 0.00 66.00 66.41 3gkf h PRO 262 Cb 0.75 0.20 -0.08 0.00 0.11 0.00 0.00 31.00 31.98 3gkf h PRO 262 CO 0.68 -0.58 0.63 0.28 -0.21 0.00 0.00 178.00 178.80 3gkf h VAL 263 N -0.90 1.00 -0.63 3.15 2.07 -1.94 0.74 116.25 119.75 3gkf h VAL 263 Ca -0.04 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.13 3gkf h VAL 263 Cb 0.82 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3gkf h VAL 263 CO -0.13 0.20 0.40 0.00 0.02 0.00 0.00 177.57 178.06 3gkf h ALA 264 N 1.49 0.80 -0.17 1.67 0.00 -1.80 -2.27 119.26 118.99 3gkf h ALA 264 Ca 0.46 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.36 3gkf h ALA 264 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3gkf h ALA 264 CO -0.22 0.18 0.02 1.98 0.00 0.00 0.00 179.25 181.22 3gkf h MET 265 N 0.81 0.09 -0.52 0.00 -1.53 -0.23 -1.65 114.93 111.89 3gkf h MET 265 Ca 0.24 -0.01 0.06 0.00 -3.44 0.00 0.00 59.70 56.55 3gkf h MET 265 Cb -0.05 -0.02 -0.05 0.00 -0.55 0.00 0.00 31.60 30.93 3gkf h MET 265 CO -0.07 0.06 0.24 0.52 0.14 0.00 0.00 176.91 177.79 3gkf h MET 266 N 0.09 0.45 -0.26 0.39 2.86 -0.86 0.34 114.93 117.93 3gkf h MET 266 Ca 0.08 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3gkf h MET 266 Cb 0.08 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3gkf h MET 266 CO -0.11 0.29 0.07 0.87 1.06 0.00 0.00 176.91 179.10 3gkf h LYS 267 N 0.46 0.37 0.24 1.72 1.57 -1.17 0.99 116.57 120.75 3gkf h LYS 267 Ca 0.24 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3gkf h LYS 267 Cb 0.19 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3gkf h LYS 267 CO -0.19 0.34 -0.14 0.00 -0.57 0.00 0.00 179.45 178.88 3gkf h ALA 268 N 1.72 -0.36 -0.52 3.86 0.00 0.47 -1.67 119.26 122.77 3gkf h ALA 268 Ca 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3gkf h ALA 268 Cb 0.13 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gkf h ALA 268 CO -0.01 -0.71 0.21 0.28 0.00 0.00 0.00 179.25 179.02 3gkf h VAL 269 N -0.37 1.22 -0.61 0.00 2.07 0.92 -1.94 116.25 117.54 3gkf h VAL 269 Ca -0.02 -0.67 0.11 0.00 0.82 0.00 0.00 66.70 66.94 3gkf h VAL 269 Cb 0.30 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 3gkf h VAL 269 CO 0.03 0.26 0.16 1.56 0.02 0.00 0.00 177.57 179.59 3gkf h GLN 270 N 0.70 0.29 0.44 1.57 4.20 0.11 0.01 115.11 122.44 3gkf h GLN 270 Ca 0.17 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3gkf h GLN 270 Cb 0.20 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3gkf h GLN 270 CO -0.01 0.19 -0.25 0.00 -0.67 0.00 0.00 178.83 178.09 3gkf h ALA 271 N 1.47 -0.64 -0.29 3.87 0.00 -0.71 -0.08 119.26 122.89 3gkf h ALA 271 Ca 0.32 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3gkf h ALA 271 Cb 0.46 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3gkf h ALA 271 CO -0.38 -0.87 0.03 0.28 0.00 0.00 0.00 179.25 178.30 3gkf h VAL 272 N -0.64 0.83 0.29 0.00 2.07 -0.86 0.31 116.25 118.24 3gkf h VAL 272 Ca -0.05 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3gkf h VAL 272 Cb 0.52 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3gkf h VAL 272 CO 0.07 0.02 -0.14 0.58 0.02 0.00 0.00 177.57 178.13 3gkf h VAL 273 N 0.12 0.00 0.20 2.57 2.07 -0.80 -3.00 116.25 117.41 3gkf h VAL 273 Ca 0.14 -0.24 -0.30 0.00 0.82 0.00 0.00 66.70 67.11 3gkf h VAL 273 Cb 0.16 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3gkf h VAL 273 CO -0.20 0.00 -1.30 0.45 0.02 0.00 0.00 177.57 176.53 3gkf h HIS 274 N -0.62 0.93 -0.01 1.57 -0.00 -1.11 -3.37 115.15 112.54 3gkf h HIS 274 Ca -0.04 -0.65 0.00 0.00 -0.00 0.00 0.00 60.37 59.68 3gkf h HIS 274 Cb 0.29 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 3gkf h HIS 274 CO 0.06 1.50 -0.74 0.72 -0.00 0.00 0.00 177.93 179.47 3gkf n HIS 275 N -3.81 0.00 -0.81 2.45 8.25 -0.51 -4.97 115.22 115.81 3gkf n HIS 275 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3gkf n HIS 275 Cb 1.02 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.12 3gkf n HIS 275 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gkf n ASN 276 N -0.83 0.00 -4.50 0.41 3.02 -0.02 -4.96 115.26 108.38 3gkf n ASN 276 Ca 0.07 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 3gkf n ASN 276 Cb 0.39 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.58 3gkf n ASN 276 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gkf n GLU 277 N -2.00 0.72 -1.86 3.52 -0.58 -1.07 -4.91 120.64 114.45 3gkf n GLU 277 Ca 0.00 0.27 -0.32 0.00 -0.42 0.00 0.00 57.16 56.69 3gkf n GLU 277 Cb 0.00 -1.71 0.02 0.00 -0.57 0.00 0.00 31.44 29.18 3gkf n GLU 277 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3gkf s THR 278 N -1.52 4.20 0.21 2.62 -4.23 -1.26 -4.42 115.64 111.25 3gkf s THR 278 Ca 0.66 0.83 -0.11 0.00 -1.18 0.00 0.00 61.69 61.89 3gkf s THR 278 Cb -0.53 -3.54 0.21 0.00 1.34 0.00 0.00 72.50 69.97 3gkf s THR 278 CO 0.56 -0.82 1.65 0.00 -0.54 0.00 0.00 174.62 175.47 3gkf h ALA 279 N -0.14 0.57 0.38 3.99 0.00 -1.91 -1.28 119.26 120.86 3gkf h ALA 279 Ca -0.45 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3gkf h ALA 279 Cb 1.20 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3gkf h ALA 279 CO 0.59 -0.41 -0.18 -0.44 0.00 0.00 0.00 179.25 178.81 3gkf h ASP 280 N 0.09 -0.43 -0.50 0.00 5.19 -1.97 0.12 116.42 118.92 3gkf h ASP 280 Ca 0.32 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.82 3gkf h ASP 280 Cb 0.52 0.11 -0.07 0.00 0.18 0.00 0.00 39.33 40.07 3gkf h ASP 280 CO -0.56 -0.29 0.10 0.03 -3.12 0.00 0.00 179.24 175.40 3gkf h ARG 281 N -0.52 0.23 -0.04 3.56 3.08 -1.87 -0.53 114.38 118.29 3gkf h ARG 281 Ca -0.05 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.02 3gkf h ARG 281 Cb 0.40 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 3gkf h ARG 281 CO 0.08 0.15 -0.43 0.00 -1.07 0.00 0.00 179.97 178.71 3gkf h ALA 282 N 1.39 -0.67 -0.77 0.04 0.00 -0.51 0.11 119.26 118.85 3gkf h ALA 282 Ca 0.25 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.27 3gkf h ALA 282 Cb 0.34 0.77 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 3gkf h ALA 282 CO -0.33 -0.96 0.32 -0.92 0.00 0.00 0.00 179.25 177.36 3gkf h TYR 283 N -0.56 0.54 -0.25 0.00 3.20 -0.08 0.27 116.97 120.10 3gkf h TYR 283 Ca 0.05 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.98 3gkf h TYR 283 Cb 0.65 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3gkf h TYR 283 CO -0.45 0.07 0.12 0.93 -1.64 0.00 0.00 178.16 177.19 3gkf h GLU 284 N 0.46 0.24 0.00 1.82 5.08 0.57 0.78 114.58 123.54 3gkf h GLU 284 Ca 0.42 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3gkf h GLU 284 Cb 0.64 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3gkf h GLU 284 CO -0.40 0.16 0.00 1.37 -1.00 0.00 0.00 179.01 179.14 3gkf h LEU 285 N 0.25 0.00 0.43 1.33 -0.00 -0.48 0.65 115.31 117.50 3gkf h LEU 285 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 3gkf h LEU 285 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.68 3gkf h LEU 285 CO -0.08 0.00 -0.41 0.22 -0.00 0.00 0.00 178.44 178.17 3gkf h TYR 286 N 0.00 -1.10 -0.71 0.17 3.20 0.26 0.16 116.97 118.94 3gkf h TYR 286 Ca 0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3gkf h TYR 286 Cb 0.39 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 3gkf h TYR 286 CO 0.00 -0.57 0.28 -0.07 -1.64 0.00 0.00 178.16 176.16 3gkf h LEU 287 N -0.85 0.98 -0.60 2.82 3.38 -0.08 -2.56 115.31 118.40 3gkf h LEU 287 Ca -0.04 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 57.87 3gkf h LEU 287 Cb 0.75 -0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 3gkf h LEU 287 CO -0.05 0.89 -0.20 -1.28 0.09 0.00 0.00 178.44 177.89 3gkf h SER 288 N 1.02 -0.71 1.05 -0.43 0.87 0.54 -2.83 113.55 113.04 3gkf h SER 288 Ca 0.24 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 3gkf h SER 288 Cb 0.22 0.43 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3gkf h SER 288 CO -0.02 -0.23 0.00 -0.62 -0.53 0.00 0.00 176.83 175.43 3gkf n GLU 289 N -5.43 0.08 0.00 2.24 -0.58 0.53 -5.06 120.64 112.43 3gkf n GLU 289 Ca 0.06 0.12 0.01 0.00 -0.42 0.00 0.00 57.16 56.93 3gkf n GLU 289 Cb 0.33 -1.61 0.04 0.00 -0.57 0.00 0.00 31.44 29.64 3gkf n GLU 289 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28